MassBank Record: WA002871



 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 75 V, 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002871
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: 3,4,5-Trimethoxyamphetamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H19NO3 CH$EXACT_MASS: 225.13649 CH$SMILES: CC(N)Cc(c1)cc(OC)c(OC)c(OC)1 CH$IUPAC: InChI=1S/C12H19NO3/c1-8(13)5-9-6-10(14-2)12(16-4)11(7-9)15-3/h6-8H,5,13H2,1-4H3 CH$LINK: CAS 1082-88-8
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.700 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0hmt-0900000000-8247b24590df37f945f6 PK$NUM_PEAK: 59 PK$PEAK: m/z int. rel.int. 115 274 274 116 47 47 117 208 208 118 125 125 119 999 999 120 145 145 121 760 760 122 59 59 123 439 439 124 20 20 125 353 353 126 16 16 129 12 12 131 231 231 132 55 55 133 419 419 134 137 137 135 697 697 136 400 400 137 309 309 138 149 149 139 94 94 140 8 8 144 24 24 145 63 63 146 47 47 147 917 917 148 470 470 149 306 306 151 807 807 152 43 43 153 466 466 154 106 106 158 8 8 161 125 125 162 78 78 163 717 717 164 102 102 165 259 259 166 204 204 167 35 35 168 168 168 169 20 20 174 8 8 175 20 20 177 180 180 178 321 321 179 537 537 180 16 16 181 462 462 182 35 35 183 8 8 193 12 12 194 227 227 195 20 20 209 188 188 210 12 12 226 59 59 264 8 8 //