MassBank Record: KO003083



 Hypotaurine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003083
RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:10 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 H017

CH$NAME: Hypotaurine CH$NAME: 2-Aminoethanesulfinic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H7NO2S CH$EXACT_MASS: 109.01975 CH$SMILES: NCCS(O)=O CH$IUPAC: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5) CH$LINK: CAS 300-84-5 CH$LINK: CHEBI 16668 CH$LINK: KEGG C00519 CH$LINK: NIKKAJI J11.604A CH$LINK: PUBCHEM SID:3802
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 110 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-6900000000-26d55a4c69512ce8ae79 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 41.100 34653.5 1 50.100 188119.0 7 55.400 24752.5 1 61.200 1217823.0 46 64.300 2524755.0 95 69.000 5504956.0 208 73.700 44554.5 2 78.000 5400995.5 204 92.100 4712876.0 178 93.200 118812.0 4 110.200 26420818.5 999 //