MassBank Record: PR010028



 Taurine; GC-EI-TOF; MS; 3 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010028
RECORD_TITLE: Taurine; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Taurine CH$NAME: 2-Aminoethanesulfonic acid CH$NAME: Aminoethylsulfonic acid CH$COMPOUND_CLASS: Natural Product 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 3544
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_INDEX 1665.9 AC$CHROMATOGRAPHY: RETENTION_TIME 412.273 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C11H31NO3SSi3 MS$FOCUSED_ION: DERIVATIVE_MASS 341.13324 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-9802000000-c315203efd199b1871e7 PK$NUM_PEAK: 103 PK$PEAK: m/z int. rel.int. 60 17 17 61 11 11 62 1 1 63 2 2 64 12 12 65 2 2 66 14 14 67 1 1 70 13 13 71 7 7 72 29 29 73 999 999 74 92 92 75 50 50 76 4 4 77 27 27 78 2 2 79 5 5 83 1 1 84 3 3 85 7 7 86 84 84 87 13 13 88 5 5 89 2 2 92 1 1 93 8 8 95 4 4 98 3 3 99 4 4 100 152 152 101 20 20 102 13 13 103 7 7 104 1 1 105 3 3 113 8 8 114 37 37 115 15 15 116 13 13 117 14 14 118 2 2 119 8 8 120 1 1 122 1 1 123 1 1 129 3 3 130 76 76 131 36 36 132 13 13 133 92 92 134 14 14 135 8 8 136 1 1 137 1 1 144 1 1 145 1 1 146 12 12 147 374 374 148 57 57 149 30 30 150 3 3 151 1 1 152 1 1 153 2 2 158 3 3 160 22 22 161 4 4 162 2 2 172 29 29 173 6 6 174 154 154 175 28 28 176 13 13 177 2 2 187 1 1 188 77 77 189 15 15 190 6 6 191 1 1 196 2 2 197 1 1 204 1 1 211 6 6 212 1 1 225 45 45 226 8 8 227 6 6 238 22 22 239 4 4 240 3 3 241 1 1 248 11 11 249 2 2 250 1 1 252 1 1 254 1 1 325 3 3 326 224 224 327 61 61 328 40 40 329 8 8 330 2 2 //