MassBank Record: KZ000272



 Tryptamine; GC-EI-TOF; MS; 3 TMS; BP:174 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000272
RECORD_TITLE: Tryptamine; GC-EI-TOF; MS; 3 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_01402_P000050

CH$NAME: Tryptamine CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C10H12N2 CH$EXACT_MASS: 160.10005 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)CCN CH$IUPAC: InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 CH$LINK: CAS 61-54-1 CH$LINK: KEGG C00398 CH$LINK: INCHIKEY APJYDQYYACXCRM-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID2075340
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 2380.8 AC$CHROMATOGRAPHY: RETENTION_TIME 1028.71 sec
MS$FOCUSED_ION: BASE_PEAK 174 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00di-1900000000-0f82cbf608e15678c41e PK$NUM_PEAK: 100 PK$PEAK: m/z int. rel.int. 83 2 2 84 9 9 85 7 7 86 342 342 87 35 35 88 14 14 89 3 3 90 1 1 91 2 2 93 1 1 98 1 1 99 4 4 100 165 165 101 32 32 102 28 28 103 9 9 104 2 2 105 4 4 106 1 1 113 5 5 114 6 6 115 15 15 116 21 21 117 32 32 118 6 6 119 5 5 120 1 1 127 1 1 128 4 4 129 11 11 130 70 70 131 26 26 132 9 9 133 3 3 134 2 2 135 1 1 141 1 1 142 2 2 143 6 6 144 16 16 145 21 21 146 23 23 147 5 5 148 2 2 154 1 1 156 5 5 157 1 1 158 10 10 159 4 4 160 7 7 161 1 1 169 2 2 170 8 8 171 2 2 172 20 20 173 15 15 174 999 999 175 197 197 176 88 88 177 11 11 178 2 2 182 1 1 184 6 6 185 2 2 186 14 14 187 4 4 188 5 5 189 1 1 198 1 1 199 4 4 200 11 11 201 3 3 202 46 46 203 11 11 204 3 3 213 1 1 214 5 5 215 5 5 216 3 3 217 1 1 230 1 1 244 1 1 245 1 1 246 3 3 247 1 1 257 1 1 258 1 1 260 1 1 271 1 1 272 1 1 273 30 30 274 8 8 275 3 3 287 6 6 288 1 1 361 10 10 362 3 3 363 1 1 376 2 2 377 1 1 //

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