MassBank Record: KZ000034



 Hypotaurine; GC-EI-TOF; MS; 3 TMS; BP:100 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000034
RECORD_TITLE: Hypotaurine; GC-EI-TOF; MS; 3 TMS; BP:100
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01521_P000093

CH$NAME: Hypotaurine CH$COMPOUND_CLASS: Natural Product 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: KEGG C00519 CH$LINK: INCHIKEY VVIUBCNYACGLLV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075380
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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 1668.7 AC$CHROMATOGRAPHY: RETENTION_TIME 776.244 sec
MS$FOCUSED_ION: BASE_PEAK 100 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0udr-0900000000-6d1ec3a7649c0e7a704b PK$NUM_PEAK: 108 PK$PEAK: m/z int. rel.int. 82 1 1 83 3 3 84 16 16 85 18 18 86 177 177 87 27 27 88 12 12 89 6 6 90 3 3 91 8 8 92 3 3 93 3 3 95 1 1 97 1 1 98 11 11 99 14 14 100 999 999 101 130 130 102 63 63 103 16 16 104 6 6 105 7 7 106 3 3 107 1 1 108 2 2 111 1 1 112 1 1 113 25 25 114 182 182 115 44 44 116 63 63 117 29 29 118 9 9 119 17 17 120 4 4 121 3 3 122 28 28 123 3 3 124 2 2 128 2 2 129 10 10 130 208 208 131 61 61 132 35 35 133 106 106 134 17 17 135 19 19 136 2 2 137 17 17 138 3 3 139 2 2 140 1 1 142 2 2 143 1 1 144 3 3 145 2 2 146 31 31 147 273 273 148 49 49 149 30 30 150 4 4 151 2 2 156 2 2 157 1 1 158 7 7 159 2 2 160 7 7 161 2 2 162 1 1 163 1 1 164 1 1 165 1 1 170 1 1 172 99 99 173 19 19 174 143 143 175 26 26 176 41 41 177 7 7 178 2 2 179 1 1 186 1 1 187 13 13 188 640 640 189 131 131 190 58 58 191 8 8 192 1 1 194 8 8 195 1 1 196 1 1 204 2 2 205 1 1 206 1 1 209 7 7 210 1 1 211 1 1 220 2 2 221 1 1 222 5 5 223 1 1 248 17 17 249 4 4 250 2 2 309 1 1 310 20 20 311 5 5 312 3 3 //

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