MassBank Record: PR010095



 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: PR010095
RECORD_TITLE: Serotonin; GC-EI-TOF; MS; 5 TMS; BP:174
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 2497.1 AC$CHROMATOGRAPHY: RETENTION_TIME 568.626 sec
MS$FOCUSED_ION: BASE_PEAK 174 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$SPLASH: splash10-00di-6900000000-a7dd5c569cf4d085d244 PK$NUM_PEAK: 155 PK$PEAK: m/z int. rel.int. 60 12 12 61 9 9 62 1 1 63 3 3 64 1 1 65 2 2 66 1 1 67 1 1 69 1 1 70 5 5 71 5 5 72 12 12 73 770 770 74 74 74 75 34 34 76 6 6 77 11 11 78 2 2 83 2 2 84 3 3 85 4 4 86 257 257 87 25 25 88 11 11 89 5 5 90 3 3 91 4 4 92 1 1 93 1 1 98 1 1 99 2 2 100 114 114 101 21 21 102 31 31 103 9 9 104 2 2 105 2 2 107 1 1 113 3 3 114 4 4 115 17 17 116 12 12 117 21 21 118 5 5 119 3 3 120 1 1 121 2 2 126 1 1 127 2 2 128 13 13 129 19 19 130 38 38 131 17 17 132 7 7 133 4 4 134 2 2 135 2 2 136 1 1 137 1 1 140 1 1 141 2 2 142 7 7 143 8 8 144 14 14 145 5 5 146 36 36 147 8 8 148 4 4 149 1 1 150 1 1 154 2 2 155 1 1 156 5 5 157 2 2 158 9 9 159 4 4 160 6 6 161 2 2 162 2 2 163 1 1 169 1 1 170 5 5 171 2 2 172 15 15 173 5 5 174 999 999 175 186 186 176 91 91 177 11 11 178 2 2 179 1 1 181 1 1 184 3 3 185 2 2 186 6 6 187 2 2 188 21 21 189 5 5 190 3 3 191 1 1 193 1 1 198 1 1 199 1 1 200 4 4 201 2 2 202 14 14 203 4 4 204 5 5 205 1 1 213 1 1 214 1 1 215 2 2 216 6 6 217 2 2 218 39 39 219 11 11 220 3 3 221 1 1 229 1 1 230 3 3 231 3 3 232 5 5 233 2 2 234 1 1 236 1 1 246 1 1 248 1 1 249 1 1 260 3 3 261 1 1 262 1 1 271 1 1 272 1 1 273 1 1 274 2 2 275 1 1 276 3 3 277 1 1 278 1 1 287 1 1 288 1 1 289 13 13 290 5 5 291 1 1 292 1 1 303 7 7 304 2 2 305 1 1 375 1 1 376 1 1 377 15 15 378 6 6 379 2 2 392 3 3 393 1 1 //