MassBank Record: KO002534



 L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002534
RECORD_TITLE: L-Cysteine Sulfinic acid; LC-ESI-QQ; MS2; CE:30 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: 3-Sulfinoalanine CH$NAME: 3-Sulfino-L-alanine CH$NAME: L-Cysteinesulfinic acid 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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9300000000-97e345cd50da1d6cff01 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 39.000 316832.0 209 42.900 64356.5 42 43.900 485149.0 320 44.900 99010.0 65 54.800 29703.0 20 59.000 74257.5 49 69.900 94059.5 62 71.100 326733.0 215 71.900 113861.5 75 72.900 485149.0 320 74.100 1514853.0 999 77.100 118812.0 78 79.300 113861.5 75 88.200 29703.0 20 89.100 148515.0 98 90.000 108911.0 72 90.900 386139.0 255 94.100 89109.0 59 94.900 49505.0 33 98.000 44554.5 29 103.200 99010.0 65 105.100 747525.5 493 109.000 123762.5 82 118.100 311881.5 206 119.200 138614.0 91 136.000 202970.5 134 //