MassBank Record: KZ000264



 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: KZ000264
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_P000064

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 2587.4 AC$CHROMATOGRAPHY: RETENTION_TIME 1127.11 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-461c2a1f67418e6b5d6a PK$NUM_PEAK: 125 PK$PEAK: m/z int. rel.int. 83 2 2 84 5 5 85 4 4 86 250 250 87 24 24 88 10 10 89 2 2 91 1 1 98 1 1 99 2 2 100 107 107 101 20 20 102 17 17 103 4 4 104 1 1 105 1 1 113 3 3 114 4 4 115 9 9 116 10 10 117 16 16 118 3 3 119 2 2 121 1 1 127 1 1 128 4 4 129 4 4 130 41 41 131 20 20 132 7 7 133 5 5 134 1 1 135 1 1 140 1 1 141 1 1 142 3 3 143 2 2 144 8 8 145 5 5 146 27 27 147 9 9 148 3 3 149 1 1 154 1 1 156 2 2 157 1 1 158 9 9 159 4 4 160 4 4 161 2 2 169 1 1 170 3 3 171 1 1 172 14 14 173 4 4 174 999 999 175 193 193 176 88 88 177 11 11 178 2 2 179 1 1 184 2 2 185 1 1 186 9 9 187 2 2 188 2 2 189 1 1 190 1 1 198 1 1 199 1 1 200 4 4 201 2 2 202 20 20 203 4 4 204 2 2 205 1 1 213 1 1 214 1 1 215 1 1 216 4 4 217 3 3 218 5 5 219 1 1 228 1 1 230 4 4 231 1 1 232 3 3 233 3 3 234 1 1 244 2 2 245 1 1 246 1 1 258 1 1 259 1 1 260 9 9 261 2 2 262 1 1 272 1 1 273 1 1 274 2 2 275 1 1 276 1 1 287 2 2 288 4 4 289 2 2 290 31 31 291 11 11 292 4 4 293 1 1 302 3 3 303 2 2 304 1 1 360 1 1 361 9 9 362 3 3 363 1 1 375 1 1 448 1 1 449 7 7 450 3 3 451 1 1 463 1 1 464 3 3 465 1 1 466 1 1 //

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