MassBank Record: KO003086



 Hypotaurine; 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: KO003086
RECORD_TITLE: Hypotaurine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 110 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-9000000000-519623b6e74aa699cb3b PK$NUM_PEAK: 6 PK$PEAK: m/z int. rel.int. 42.100 54455.5 77 44.000 59406.0 84 44.900 79208.0 112 47.700 9901.0 14 65.000 94059.5 133 69.300 707921.5 999 //