MassBank Record: KZ000265



 Serotonin; GC-EI-TOF; MS; 5 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000265
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 TMS; BP:174
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_01421_P000067

CH$NAME: Serotonin CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H12N2O CH$EXACT_MASS: 176.09496 CH$SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN CH$IUPAC: InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2 CH$LINK: CAS 50-67-9 CH$LINK: KEGG C00780 CH$LINK: INCHIKEY QZAYGJVTTNCVMB-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID8075330
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 2769.7 AC$CHROMATOGRAPHY: RETENTION_TIME 1182.21 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-2286e87324e9f4a78cb4 PK$NUM_PEAK: 134 PK$PEAK: m/z int. rel.int. 83 3 3 84 6 6 85 7 7 86 378 378 87 39 39 88 17 17 89 9 9 90 4 4 91 6 6 92 1 1 93 1 1 95 1 1 98 1 1 99 3 3 100 178 178 101 35 35 102 47 47 103 13 13 104 3 3 105 2 2 107 1 1 113 6 6 114 7 7 115 25 25 116 19 19 117 30 30 118 8 8 119 4 4 120 1 1 121 2 2 127 3 3 128 19 19 129 28 28 130 75 75 131 28 28 132 11 11 133 6 6 134 3 3 135 2 2 136 1 1 137 1 1 140 1 1 141 3 3 142 11 11 143 11 11 144 19 19 145 7 7 146 81 81 147 17 17 148 7 7 149 1 1 154 2 2 155 1 1 156 5 5 157 1 1 158 9 9 159 3 3 160 6 6 161 3 3 162 2 2 163 1 1 169 1 1 170 7 7 171 2 2 172 17 17 173 7 7 174 999 999 175 201 201 176 93 93 177 12 12 178 2 2 181 1 1 184 4 4 185 2 2 186 7 7 187 3 3 188 31 31 189 7 7 190 3 3 191 1 1 198 1 1 199 1 1 200 5 5 201 2 2 202 21 21 203 6 6 204 8 8 205 2 2 206 1 1 213 1 1 214 1 1 215 3 3 216 9 9 217 4 4 218 60 60 219 15 15 220 4 4 221 1 1 229 1 1 230 5 5 231 4 4 232 7 7 233 3 3 234 1 1 236 1 1 244 1 1 246 2 2 248 2 2 258 1 1 260 4 4 261 2 2 262 2 2 271 1 1 272 1 1 273 1 1 274 2 2 275 1 1 276 4 4 277 1 1 287 1 1 288 2 2 289 20 20 290 7 7 291 2 2 302 1 1 303 11 11 304 3 3 305 1 1 375 1 1 376 2 2 377 20 20 378 7 7 379 3 3 392 1 1 //

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