MAGE-TAB Version	1.1
Comment[MetaboBank accession]	MTBKS222
Study Title	A lipidome atlas in MS-DIAL 4 (NIST plasma study)
Study Description	We present Mass Spectrometry-Data Independent Analysis software version 4 (MS-DIAL 4), a comprehensive lipidome atlas with retention time, collision cross-section and tandem mass spectrometry information. We formulated mass spectral fragmentations of lipids across 117 lipid subclasses and included ion mobility tandem mass spectrometry. Using human, murine, algal and plant biological samples, we annotated and semiquantified 8,051 lipids using MS-DIAL 4 with a 1-2% estimated false discovery rate. MS-DIAL 4 helps standardize lipidomics data and discover lipid pathways. This dataset describes experiments about NIST SRM1950 plasma samples.

Experimental Design	software variation design
Experimental Factor Name	Instrument	Mass analyzer
Experimental Factor Type	Instrument	Mass analyzer

Person Last Name	Takahashi	Tsugawa
Person First Name	Mikiko	Hiroshi
Person Mid Initials
Person Affiliation	RIKEN Center for Sustainable Resource Science	Tokyo University of Agriculture and Technology; RIKEN Center for Sustainable Resource Science; RIKEN Center for Integrative Medical Sciences
Person Roles	submitter	submitter

PubMed ID	32541957
Publication DOI

Protocol Name	Sample collection	Extraction 1	Extraction 2	Extraction 3	Extraction 4	Extraction 5	Chromatography 1	Chromatography 2	Chromatography 3	Chromatography 4	Chromatography 5	Mass spectrometry 1	Mass spectrometry 2	Mass spectrometry 3	Mass spectrometry 4	Mass spectrometry 5	Mass spectrometry 6	Mass spectrometry 7	Mass spectrometry 8	Data processing	Metabolite identification
Protocol Type	Sample collection	Extraction	Extraction	Extraction	Extraction	Extraction	Chromatography	Chromatography	Chromatography	Chromatography	Chromatography	Mass spectrometry	Mass spectrometry	Mass spectrometry	Mass spectrometry	Mass spectrometry	Mass spectrometry	Mass spectrometry	Mass spectrometry	Data processing	Metabolite identification
Protocol Description	NIST SRM 1950 human plasma sample (National Institute of Standards and Technology)	An aliquot of 20 microliter of NIST SRM 1950 human plasma sample (National Institute of Standards and Technology) was added to 100 microliter of ice cold chloroform and vortexed for 10 s. After 1-h incubation on ice, 200 microliter of ice cold MeOH containing 5 microliter of EquiSPLASH, 10 microM palmitic acid-d3, and 10 microM stearic acid-d3 was added and vortexed for 10 s. After 2-h incubation on ice, the solvent tube was centrifuged at 2000 x g for 10 min at 4 degree C. 200 microliter of supernatant was transferred to LC-MS vial.	An aliquot of 20 microliter of NIST SRM 1950 human plasma sample (National Institute of Standards and Technology) was added to 100 microliter of ice cold chloroform and vortexed for 10 s. After 1-h incubation on ice, 200 microliter of ice cold MeOH containing 5 microliter of EquiSPLASH, 10 microM palmitic acid-d3, and 10 microM stearic acid-d3 was added and vortexed for 10 s. After 2-h incubation on ice, the solvent tube was centrifuged at 2000 x g for 10 min at 4 degree C. 200 microliter of supernatant was transferred to LC-MS vial. After the same procedure as described above is performed, the supernatant was dried with a vacuum dryer and resuspended in 200 microliter of ethanol. The solvent was transferred to LC-MS vial.	An aliquot of 20 microliter of NIST SRM 1950 human plasma sample (National Institute of Standards and Technology) was added to 225 microliter of ice cold MeOH and vortexed for 10 s. Then, 750 microliter of ice cold MTBE was added and vortexed for 10 s. After shaking for 6 min at 4 degree C in the orbital mixer, 188 microliter LC-MS-grade water was added and vortexed for 20 s. After centrifugation for 2 min at 14,000 rcf, 350 microliter of the supernatant was transferred to a new 1.5 mL Eppendorf tube and evaporated to dryness in the Labconco Centrivap cold trap concentrator. The dried sample was resuspended in 110 microliter MeOH:toluene 9:1 (v/v) containing CUDA (12-[[(cyclohexylamino)carbonyl]amino]-dodecanoic acid) internal standard (50 ng/mL). After vortexing for 20 s the samples were centrifuged for 2 min at 14,000 rcf and 100 microliter of the supernatant was transferred to a glass amber vial with micro-insert.	An aliquot of 25 microliter of NIST SRM 1950 human plasma sample was added to a mixture of 165 microliter of ice cold MeOH and 600 microliter of ice cold MTBE. After shaking for 30 s in a cold block, 165 microliter of 10% MeOH/90% water (v/v) mixture was added followed by shaking for 30 s. After centrifugation for 5 min at 16,000 rcf, 100 microliter of the supernatant was transferred to a new 1.5 mL Eppendorf tube and evaporated to dryness in the Labconco Centrivap cold trap concentrator. The dried sample was resuspended in 100 microliter MeOH containing CUDA internal standard (200 ng/mL). After shaking for 30 s the samples were centrifuged for 5 min at 16,000 rcf and 90 microliter of the supernatant was transferred to a glass amber vial with micro-insert.	An aliquot of 50 microliter of NIST SRM 1950 human plasma sample was added to 50 microliter SPLASH LIPIDOMIX I and 400 microliter of ice cold MeOH. After vortexed briefly, then sonicated for five minutes, 800 microliter of chloroform was added followed by shaking for 1 min. 240 microliter of water was added for phase partitioning followed by shaking for 1 min. After centrifugation for 4 min at 16,000 g, the lower layer was carefully removed with a gas-tight glass syringe, and transferred to a 2 mL Agilent A-Line amber glass vial. To re-extract the remaining interphase and upper phase layers, 900 microliter chloroform/methanol/water (86:14:1, v/v/v) was added, and the mixture was vortexed for one minute and centrifuged again. The combined lower layers from ten 50 microliter extractions (ESI-) were combined, and the lower layers from a single 50 microliter extraction (ESI+) were combined and dried by a vacuum concentrator. The dried samples were resuspended in 100 microliter of a MeOH/chloroform mixture (9:1, v/v). After shaking for 1 min, the samples were centrifuged for 4 min at 16,000 g and the supernatants were transferred to glass amber vials with micro-inserts.	The LC system consisted of a Waters Acquity UPLC system. Lipids were separated on an Acquity UPLC Peptide BEH C18 column (50 x 2.1 mm; 1.7 micrometer) (Waters, Milford, MA, USA). The column was maintained at 45 degree C at a flow-rate of 0.3 mL/min. The mobile phases consisted of (A) 1:1:3 (v/v/v) acetonitrile:methanol:water with ammonium formate (5 mM) and 10 nM EDTA and (B) 100% isopropanol with ammonium formate (5 mM) and 10 nM EDTA. A sample volume of 0.5-3 microliter, which depended on biological samples, was used for the injection. The separation was conducted under the following gradient: 0 min 0% (B); 1 min 0% (B); 5 min 40% (B); 7.5 min 64% (B); 12 min 64% (B); 12.5 min 82.5% (B); 19 min 85% (B); 20 min 95% (B); 20.1 min 0% (B); and 25 min 0% (B). Sample temperature was maintained at 4 degree C.	The LC system consisted of a Waters Acquity UPLC system. Lipids were separated on an Acquity UPLC HSS T3 C18 column (50 x 1.0 mm; 1.8 microm) (Waters, Milford, MA, USA). The column was maintained at 55 degree C at a flow-rate of 0.15 mL/min. The mobile phases consisted of (A) 200:800:10:1 (v/v/v/v) acetonitrile:water:1 M ammonium acetate:formic acid and (B) 100:900:10:1 (v/v/v/v) acetonitrile:isopropanol:1 M ammonium acetate:formic acid. A sample volume of 1 microliter was used for the injection. The separation was conducted under the following gradient: 0 min 35% (B); 3 min 70% (B); 7 min 85% (B); 10 min 90% (B); 12 min 90% (B); 12.5 min 35% (B); and 15 min 35% (B). Sample temperature was maintained at 10 degree C.	The LC system consisted of an Agilent 1290 system (Agilent Technologies Inc.) with a pump (G4220A), a column oven (G1316C), and an autosampler (G4226A). Lipids were separated on an Acquity UPLC CSH C18 column (100 x 2.1 mm; 1.7 micrometer) coupled to an Acquity UPLC CSH C18 VanGuard precolumn (5 x 2.1 mm; 1.7 micrometer) (Waters, Milford, MA, USA). The column was maintained at 65 degree C at a flow-rate of 0.6 mL/min. For LC-ESI(+)-MS analysis the mobile phases consisted of (A) 60:40 (v/v) acetonitrile:water with ammonium formate (10 mM) and formic acid (0.1%) and (B) 90:10:0.1 (v/v/v) isopropanol:acetonitrile:water with ammonium formate (10 mM) and formic acid (0.1%). For LC-ESI(-)-MS analysis the organic solvents for mobile phases were the same with the exception of using ammonium acetate (10 mM) as mobile-phase modifier. A sample volume of 3 microliter was used for the injection in both ESI(+) and ESI(-). The separation was conducted under the following gradient in ESI(+): 0 min 15% (B); 0-2 min 30% (B); 2-2.5 min 48% (B); 2.5-11 min 82% (B); 11-11.5 min 99% (B); 11.5-12 min 99% (B); 12-12.1 min 15% (B); and 12.1-15 min 15% (B). The separation was conducted under the following gradient in ESI(-): 0 min 15% (B); 0-2 min 30% (B); 2-2.5 min 48% (B); 2.5-9.5 min 76%; 9.5-9.6 min 99% (B); 9.6-10.5 min 99% (B); 10.5-10.6 min 15% (B); 10.6-13.5 min 15% (B). Sample temperature was maintained at 4 degree C.	The LC system consisted of a Vanquish UHPLC system (Thermo Fisher Scientific, Bremen, Germany) with a pump, a column oven and an autosampler. Lipids were separated on an Acquity UPLC BEH C18 column (50  x  2.1 mm; 1.7 micrometer) coupled to an Acquity UPLC BEH C18 VanGuard precolumn (5  x  2.1 mm; 1.7 micrometer) (Waters, Milford, MA, USA). The column was maintained at 65 degree C at a flow-rate of 0.6 mL/min. For LC-ESI(+)-MS analysis the mobile phases consisted of (A) 60:40 (v/v) acetonitrile:water with ammonium formate (10 mM) and formic acid (0.1%) and (B) 90:10:0.1 (v/v/v) isopropanol:acetonitrile:water with ammonium formate (10 mM) and formic acid (0.1%). For LC-ESI(-)-MS analysis the organic solvents for mobile phases were the same with the exception of using ammonium acetate (10 mM) and acetic acid (0.1%) as mobile-phase modifiers. A sample volume of 2 microliter and 3 microliter was used for the injection in ESI(+) and ESI(-), respectively. Separation was conducted under the following gradient for LC-ESI(+): 0 min 15% (B); 0-1 min 30% (B); 1-1.3 min from 30% to 48% (B); 1.3-5.5 min from 48% to 82% (B); 5.5-5.8 min from 82% to 99% (B); 5.8-6 min 99% (B); 6-6.1 min from 99% to 15% (B); 6.1-7.5 min 15% (B). For LC-ESI(-), the following gradient was used: 0 min 15% (B); 0-1 min 30% (B); 1-1.3 min from 30% to 48% (B); 1.3-4.8 min from 48% to 76% (B); 4.8-4.9 min from 76% to 99% (B); 4.9-5.3 min 99% (B); 5.3-5.4 min from 99% to 15% (B); 5.4-6.8 min 15% (B). Sample temperature was maintained at 4 degree C.	The LC system consisted of an Agilent 1290 Infinity II (Agilent Technologies, Santa Clara, CA, USA) with a pump, a column oven and an autosampler. Lipids were separated on an Agilent InfinityLab Poroshell 120 EC-C18 column (100  x  3.0 mm; 2.7 micrometer) coupled to an Agilent InfinityLab Poroshell 120 EC-C18 column precolumn (5  x  3.0 mm; 2.7 micrometer). The column was maintained at 50 degree C at a flow-rate of 0.6 mL/min. The mobile phases consisted of (A) 9:1 (v/v) water:methanol with ammonium acetate (10 mM) and ammonium fluoride (0.2 mM) and (B) 2:3:5 (v/v/v) acetonitrile:methanol/isopropanol with ammonium formate (10 mM) and ammonium fluoride (0.2 mM). A sample volume of 5 microliter was used for tinjections in ESI(+) and ESI(-). Separation was conducted under the following gradient: 0 min 70% (B); 1 min 70% (B); 3.5 min 86% (B); 10.0 min 86% (B); 11.0 min 100% (B); 17.0 min 100% (B); 17.1 min 70% (B); 19.0 min 70% (B). Sample temperature was maintained at 4 degree C.	Mass spectrometric detection of lipids was performed on a quadrupole/time-of-flight mass spectrometer TripleTOF 6600 (SCIEX, Framingham, MA, USA). All analyses were performed at the high resolution mode in MS1 (~35,000 full width at half maximum (FWHM)) and at the high sensitivity mode (~20,000 FWHM) in MS2. Data dependent MS/MS acquisition (DDA) was used. The parameters were MS1 and MS2 mass ranges, m/z 70-1750; MS1 accumulation time, 200 ms; MS2 accumulation time, 70 ms; collision energy, +40/-42 eV; collision energy spread, 15 eV; cycle time, 1370 ms; curtain gas, 30; ion source gas 1, 40(+)/50(-); ion source gas 2, 80(+)/50(-); temperature, 250 degree C(+)/300 degree C(-); ion spray voltage floating, +5.5/-4.5 kV; declustering potential, 80 V. The other DDA parameters were dependent product ion scan number, 16; intensity threshold, 100 cps; exclusion time of precursor ion, 0s; mass tolerance, 20 ppm; ignore peaks, within m/z 200; and dynamic background subtraction, True. The mass calibration was automatically performed using an APCI positive/negative calibration solution via a calibration delivery system (CDS).	Mass spectrometric detection of lipids was performed on a quadrupole/time-of-flight mass spectrometer TripleTOF 6600 (SCIEX, Framingham, MA, USA). All analyses were performed at the high resolution mode in MS1 (~35,000 full width at half maximum (FWHM)) and at the high sensitivity mode (~20,000 FWHM) in MS2. Data dependent MS/MS acquisition (DDA) was used. The parameters were MS1 and MS2 mass ranges, m/z 70-1250; MS1 accumulation time, 250 ms; MS2 accumulation time, 100 ms; collision energy, +40/-42 eV; collision energy spread, 15 eV; cycle time, 1300 ms; curtain gas, 30; ion source gas 1, 40(+)/50(-); ion source gas 2, 80(+)/50(-); temperature, 250 degree C(+)/300 degree C(-); ion spray voltage floating, +5.5/-4.5 kV; declustering potential, 80 V. The other DDA parameters were dependent product ion scan number, 16; intensity threshold, 100 cps; exclusion time of precursor ion, 0s; mass tolerance, 20 ppm; ignore peaks, within m/z 200; and dynamic background subtraction, True. The mass calibration was automatically performed using an APCI positive/negative calibration solution via a calibration delivery system (CDS).	Data dependent MS/MS acquisition (DDA) was used. The parameters were MS1 mass ranges, m/z 200-2500 and MS2 mass ranges, m/z 50-2500; MS1 cycle time, 0.5 sec; MS2 accumulation 14 Hz ; collision energy, 30 eV; end plate offset, 500 V; capillary voltage, +4.5 kV/-4.2 kV; nebulizer pressure, 2 bar; dry gas, 10.0 l/min; dry temperature, 220 degree C/200 degree C; funnel 1 RF, 300 Vpp; funnel 2 RF, 200 Vpp/250 Vpp; multipole RF, 200 Vpp; deflection delta, +70 V/-70 V; quadrupole ion energy, 6 eV/5 eV; collision transfer energy, 14 eV/15 eV; collision RF, 1100 to 1800 Vpp stepping; transfer time 45 to 75 microsecond stepping; pre-pulse storage, 10 microsecond/5 microsecond; intensity threshold, 31cts.; exclusion time of precursor ion, 0.2 min. The mass calibration was automatically performed using 5 mM sodium acetate calibration solution.	Data dependent MS/MS acquisition (DDA) was used. The parameters were MS1 and MS2 mass ranges, m/z 50-2500; MS1 and MS2 accumulation time, 100 ms; mobility range, 0.55-1.90; collision energy 30 eV; end plate offset, 500 V; capillary voltage, +4.5 kV/-4.2 kV; nebulizer pressure, 2 bar; dry gas, 10.0 L/min; dry temperature, 220 degree C; funnel 1 RF, 300 Vpp; funnel 2 RF, 200 Vpp/250 Vpp; multipole RF, 200 Vpp; deflection delta, 70 V/-70 V; quadrupole ion energy, 6 eV/5 eV; collision transfer energy, 14 eV/15 eV; collision RF, 1500 Vpp/1100 Vpp; transfer time 75 microsecond/54 microsecond; pre-pulse storage, 10 microsecond/5 microsecond; tims transfer (delta)1, -20 V/20 V; tims transfer (delta)2, -120 V/120 V; tims transfer (delta)3, 70 V/-70 V; tims transfer (delta)4, 100 V/-100 V; tims transfer (delta)5, 0 V; tims transfer (delta)6, 100 V/-100 V; intensity threshold, 250 cts.; target intensity, 4000 cts; exclusion time of precursor ion, 0.1 min. The mass calibration was automatically performed using 5 mM sodium acetate calibration solution. For the confirmation of ESI(+)-MS/MS spectra for phosphatidylcholine, the positive ion mode data was acquired with the following setting. The parameters were dry temperature, 200 degree C; funnel 2 RF, 250 Vpp; quadrupole ion energy, 5 eV; collision transfer energy, 15 eV; collision RF, 1100 Vpp; and transfer time 54 microsecond; pre-pulse storage, 5 microsecond. The other parameters were the same as Mass spectrometry 3.	Mass spectrometric detection of lipids was performed on a quadrupole/time-of-flight mass spectrometer Xevo G2 QTOF MS (Waters, Milford, MA, USA). MS2 analyses were performed at the sensitivity mode. Data dependent MS/MS acquisition (DDA) was used for MS2. The conditions for recording were as follows: source capillary, 3.0 (positive ion mode) and 2.5 kV (negative ion mode); sampling cone, 20 (positive) and 40 (negative); extraction cone, 4.0; source temperature, 120 degree C; desolvation temperature, 450 degree C; cone gas flow, 50 L/h; desolvation gas flow, 600 L/h; scan ranges, m/z 100-1600; MS1 scan time, 200 ms (centroid); MS2 scan time, 100 ms (centroid); collision energy, 20-50 eV (ramp mode). The other DDA parameters were event number, 6; scan repeat, 3; peak selection mode to trigger MS/MS, intensity-based detection; deisotope peak detection, yes; ionization mode, ESI; and correction by lock mass function, yes.	Mass spectrometric detection of lipids was performed on a quadrupole/time-of-flight mass spectrometer TripleTOF 6600 (SCIEX, Framingham, MA, USA). All analyses were performed at the high resolution mode in MS1 (~35,000 full width at half maximum (FWHM)) and at the high sensitivity mode (~15,000 FWHM) in MS2. For ESI(+), the SWATH parameters were MS1 accumulation time, 100 ms; MS1 mass range, m/z 100-1700; MS2 accumulation time, 10 ms; collision energy, 45 eV; collision energy spread, 15 eV; cycle time, 550 ms; Q1 window, 20 Da; SWATH mass range, m/z 300-1100; number of SWATH experiments, 40; MS2 mass range: m/z 80-1100. Other parameters were curtain gas, 35; ion source gas 1, 60; ion source gas 2, 60; temperature, 350 degree C; ion spray voltage floating, 4.5 kV; declustering potential, 80 V. For ESI(-), the SWATH parameters were MS1 accumulation time, 100 ms; MS1 mass range, m/z 100-1700; MS2 accumulation time, 10 ms; collision energy, -50 eV; collision energy spread, 10 eV; cycle time, 550 ms; Q1 window, 15 Da; SWATH mass range, m/z 400-1000; number of SWATH experiments, 40; MS2 mass range: m/z 80-1000. Other parameters were curtain gas, 35; ion source gas 1, 60; ion source gas 2, 60; temperature, 350 degree C; ion spray voltage floating, -4.5 kV; declustering potential, -80 V. The mass calibration was automatically performed using an APCI positive/negative calibration solution via a calibration delivery system (CDS).	Mass spectrometric detection of lipids was performed on a quadrupole/orbital ion trap mass spectrometer Q Exactive Plus with a HESI-II ion source (Thermo Fisher Scientific, Bremen, Germany). Simultaneous MS1 and MS/MS (data-dependent MS/MS) acquisition was used. The parameters were as follows: sheath gas pressure, 60; aux gas flow, 25; sweep gas flow, 2; spray voltage, 3.6 kV and -3.0 kV for ESI(+) and ESI(-), respectively; capillary temperature, 300 degree C; aux gas heater temperature, 370 degree C; MS1 mass range, m/z 200-1700; MS1 resolving power, 35,000 FWHM (m/z 200); number of data-dependent scans per cycle: 3; MS/MS resolving power, 17,500 FWHM (m/z 200); MS1 ion time: 100 ms; MS2 ion time: 50 ms; normalized collision energy, 20% for ESI(+) and 10, 20, 30% for ESI(-). The instrument was tuned using a Thermo positive and negative ion mode calibration solutions.	Mass spectrometric detection of lipids was performed on a quadrupole/time-of-flight mass spectrometer 6546 Q-TOF (Agilent Technologies, Santa Clara, CA, USA). Simultaneous MS1 and MS/MS (data-dependent MS/MS) acquisition was used. The parameters were as follows: gas temperature, 200 degree C; gas flow, 10 L/min; nebulizer (psig), 50; sheath gas temperature, 300 degree C; sheath gas flow, 12 L/min; VCap, 3.5 kV and -3.0 kV for ESI(+) and ESI(-), respectively; nozzle voltage, 0 V; fragmentor, 150 V; skimmer, 65 V; octupole RF Vpp, 750 V; MS1 and MS2 mass range, m/z 40-1700; min MS and MS/MS acquisition rate: 3 spectra/s; isolation width, narrow (~1.3 m/z); max precursors per cycle, 3; precursor abundance-based scan speed, target 25,000 counts/spectrum; use MS/MS accumulation time limit, yes; reject precursors that cannot reach target TIC, no; threshold for MS/MS, 5,000 counts and 0.001%; active exclusion enabled, one repeat, then exclude for 0.05 minutes; purity, stringency 70%, cut off 0%; isotope model, common organic molecules; sort precursors, 1,2,unknown; static exclusion ranges, m/z 40 to 151 for ESI(+) and m/z 40 to 210 for ESI(-); collision energy, 20 eV for ESI(+) and 25 eV for ESI(-). The instrument was tuned using a reference mass m/z 121.050873, m/z 1221.990637 (+) and m/z 119.03632, m/z 980.016375 (-).	use MS-DIAL ver.4.0 (For parameters used: Supplementary Table S3e at https://doi.org/10.1038/s41587-020-0531-2).	use MS-DIAL ver.4.0
Protocol Parameters		Post extraction;Derivatization	Post extraction;Derivatization	Post extraction;Derivatization	Post extraction;Derivatization	Post extraction;Derivatization	Chromatography instrument;Autosampler model;Column model;Column type;Guard column	Chromatography instrument;Autosampler model;Column model;Column type;Guard column	Chromatography instrument;Autosampler model;Column model;Column type;Guard column	Chromatography instrument;Autosampler model;Column model;Column type;Guard column	Chromatography instrument;Autosampler model;Column model;Column type;Guard column	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer	Scan polarity;Scan m/z range;Instrument;Ion source;Mass analyzer
Protocol Hardware
Protocol Software																				MS-DIAL ver.4.0	MS-DIAL ver.4.0

Public Release Date	2023-06-14

Term Source Name
Term Source File
Term Source Version

SDRF File	MTBKS222.sdrf.txt

Comment[Study type]	lipid profiling
Comment[Experiment type]	data-dependent acquisition	SWATH MS	ion mobility spectrometry-mass spectrometry	liquid chromatography-mass spectrometry	quadrupole mass spectrometer	time-of-flight mass spectrometry	tandem mass spectrometry
Comment[Submission type]	LC-MS
Comment[BioProject]	PRJDB15006
Comment[Related study]
Comment[Contributor]	Kazutaka Ikeda(Department of Applied Genomics, Kazusa DNA Research Institute; RIKEN Center for Integrative Medical Sciences), Masanori Arita(National Institute of Genetics; RIKEN Center for Sustainable Resource Science), Makoto Arita(RIKEN Center for Integrative Medical Sciences; Graduate School of Pharmaceutical Sciences, Keio University; Graduate School of Medical Life Science, Yokohama City University)
Comment[Submission Date]	2022-12-28
Comment[Last Update Date]	2023-06-14