MassBank Record: KO000399



 L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000399
RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03dr-9000000000-7b240ef61fb159b7bfaf PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 35.000 34653.5 36 45.000 44554.5 46 59.400 19802.0 20 63.900 965347.5 999 65.000 49505.0 51 70.700 113861.5 118 87.900 876238.5 907 90.200 19802.0 20 92.500 24752.5 26 //