MassBank Record: KO001873



 Taurine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001873
RECORD_TITLE: Taurine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00e9-6900000000-cc7fe1badfe13959526d PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 45.200 29703.0 1 59.100 148515.0 7 59.900 297030.0 13 62.300 24752.5 1 65.200 158416.0 7 80.000 14351499.5 637 81.100 178218.0 8 91.000 64356.5 3 94.900 168317.0 7 96.200 79208.0 4 107.400 490099.5 22 123.000 34653.5 2 124.000 22500022.5 999 //