MassBank Record: RP001802



 L-Cysteine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: RP001802
RECORD_TITLE: L-Cysteine; LC-ESI-QTOF; MS2; CE: 20; R=; [M+H]+
DATE: 2017.10.20
AUTHORS: BGC, Helmholtz Zentrum Muenchen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2017
COMMENT: CONFIDENCE Standard Compound
COMMENT: INTERNAL_ID 18

CH$NAME: L-Cysteine CH$NAME: (2R)-2-azaniumyl-3-sulfanylpropanoate CH$COMPOUND_CLASS: N/A; Metabolomics Standard CH$FORMULA: C3H7NO2S CH$EXACT_MASS: 121.01975 CH$SMILES: C([C@@H](C(=O)O)N)S CH$IUPAC: InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 CH$LINK: CAS 52-90-4 CH$LINK: CHEBI 58717 CH$LINK: KEGG D00026 CH$LINK: PUBCHEM CID:5862 CH$LINK: INCHIKEY XUJNEKJLAYXESH-REOHCLBHSA-N CH$LINK: CHEMSPIDER 5653
AC$INSTRUMENT: maXis plus UHR-ToF-MS, Bruker Daltonics AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 AC$CHROMATOGRAPHY: COLUMN_NAME BEH C18 1.7um, 2.1x100mm, Waters AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 95/5 at 1.12 min, 0.5/99.5 at 6.41 min, 0.5/99.5 at 10.01 min AC$CHROMATOGRAPHY: FLOW_RATE 400 uL/min AC$CHROMATOGRAPHY: RETENTION_TIME 0.604 min AC$CHROMATOGRAPHY: SOLVENT A Water with 0.1% formic acid AC$CHROMATOGRAPHY: SOLVENT B ACN with 0.1% formic acid
MS$FOCUSED_ION: BASE_PEAK 76.0209 MS$FOCUSED_ION: PRECURSOR_M/Z 122.027 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.4.0
PK$SPLASH: splash10-004i-9000000000-d4e5b9ec1a14314a822e PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 62.9893 338 7 76.0209 42732 999 77.004 108 2 77.0237 570 13 86.9895 5492 128 88.0387 200 4 104.9997 834 19 110.0569 54 1 //