MassBank Record: KO001876



 Taurine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001876
RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:50 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 T004

CH$NAME: Taurine CH$NAME: 2-Aminoethanesulfonic acid CH$NAME: Aminoethylsulfonic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H7NO3S CH$EXACT_MASS: 125.01466 CH$SMILES: NCCS(O)(=O)=O CH$IUPAC: InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6) CH$LINK: CAS 107-35-7 CH$LINK: CHEBI 15891 CH$LINK: CHEMPDB TAU CH$LINK: KEGG C00245 CH$LINK: NIKKAJI J5.056C CH$LINK: PUBCHEM SID:3544
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-27d6c7ae55f73bb21b3c PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 59.800 19802.0 3 78.800 19802.0 3 80.100 6881195.0 999 81.100 19802.0 3 //