MassBank Record: KO000397



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

ACCESSION: KO000397
RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID C015

CH$NAME: Cysteine sulfinate CH$NAME: L-Cysteinesulfinic acid CH$NAME: 3-Sulfinoalanine CH$NAME: 3-Sulfino-L-alanine CH$NAME: 3-Sulphino-L-alanine CH$NAME: L-Cysteine Sulfinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C3H7NO4S CH$EXACT_MASS: 153.00958 CH$SMILES: N[C@H](C(O)=O)CS(O)=O CH$IUPAC: InChI=1S/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)/t2-/m0/s1 CH$LINK: CAS 1115-65-7 CH$LINK: CHEBI 16345 CH$LINK: KEGG C00606 CH$LINK: NIKKAJI J36.785K CH$LINK: PUBCHEM SID:3881
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000i-9000000000-1d1369a5e4254a8a3d13 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 35.100 108911.0 4 45.300 14851.5 1 59.000 247525.0 9 59.900 79208.0 3 64.200 79208.0 3 65.100 44554.5 2 71.200 153465.5 5 86.400 108911.0 4 88.200 29034682.5 999 88.700 252475.5 9 93.200 29703.0 1 107.800 24752.5 1 121.900 74257.5 3 137.500 113861.5 4 152.000 945545.5 33 //