MassBank Record: PR010094



 Serotonin; GC-EI-TOF; MS; 5 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR010094
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 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$NAME: 5-Hydoxytryptamine CH$NAME: Serotonin CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H12N2O CH$EXACT_MASS: 176.09496 CH$SMILES: NCCc(c1)c(c2)c(ccc(O)2)n1 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 153-98-0 CH$LINK: NIKKAJI J237.870A
AC$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 2459.2 AC$CHROMATOGRAPHY: RETENTION_TIME 562.521 sec
MS$FOCUSED_ION: BASE_PEAK 73 MS$FOCUSED_ION: DERIVATIVE_FORM C25H52N2OSi5 MS$FOCUSED_ION: DERIVATIVE_MASS 536.2926 MS$FOCUSED_ION: DERIVATIVE_TYPE 5 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-8900000000-4b838943ace80c8b7734 PK$NUM_PEAK: 125 PK$PEAK: m/z int. rel.int. 60 8 8 61 5 5 62 1 1 63 1 1 67 1 1 70 4 4 71 3 3 72 10 10 73 999 999 74 83 83 75 30 30 76 2 2 77 8 8 78 1 1 83 2 2 84 3 3 85 3 3 86 181 181 87 17 17 88 7 7 89 1 1 91 1 1 99 1 1 100 79 79 101 13 13 102 11 11 103 3 3 105 1 1 113 2 2 114 2 2 115 7 7 116 7 7 117 12 12 118 2 2 119 2 2 127 1 1 128 3 3 129 3 3 130 25 25 131 14 14 132 4 4 133 3 3 134 1 1 135 1 1 142 2 2 143 2 2 144 6 6 145 3 3 146 9 9 147 5 5 148 1 1 149 1 1 154 1 1 156 2 2 157 1 1 158 8 8 159 3 3 160 2 2 161 1 1 169 1 1 170 2 2 171 1 1 172 11 11 173 3 3 174 963 963 175 174 174 176 83 83 177 10 10 178 2 2 184 2 2 185 1 1 186 7 7 187 2 2 188 2 2 190 1 1 198 1 1 199 1 1 200 3 3 201 2 2 202 16 16 203 3 3 204 2 2 214 1 1 215 1 1 216 3 3 217 3 3 218 4 4 219 1 1 230 3 3 231 1 1 232 3 3 233 2 2 234 1 1 244 1 1 246 1 1 258 1 1 260 8 8 261 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 26 26 291 9 9 292 3 3 293 1 1 302 3 3 303 2 2 304 1 1 361 7 7 362 3 3 363 1 1 375 1 1 448 1 1 449 7 7 450 3 3 451 1 1 464 5 5 465 3 3 466 1 1 //