MassBank Record: WA002872



 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 60 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002872
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (2007.08.01, 2011.05.06)
AUTHORS: , Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 1082-88-8 CH$LINK: INCHIKEY WGTASENVNYJZBK-UHFFFAOYSA-N
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: RETENTION_TIME 10.700 min AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0kec-0900000000-6fde90f9e989eb05b96a PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 115 51 51 116 16 16 117 106 106 118 8 8 119 262 262 120 35 35 121 282 282 122 16 16 123 145 145 124 12 12 125 90 90 129 8 8 131 86 86 132 24 24 133 204 204 134 86 86 135 309 309 136 125 125 137 102 102 138 86 86 139 51 51 144 8 8 145 47 47 146 47 47 147 639 639 148 208 208 149 243 243 151 419 419 152 59 59 153 466 466 154 94 94 155 8 8 159 8 8 161 67 67 162 188 188 163 564 564 164 74 74 165 235 235 166 333 333 167 35 35 168 498 498 169 55 55 175 8 8 176 8 8 177 176 176 178 842 842 179 619 619 181 999 999 182 74 74 183 20 20 193 8 8 194 760 760 195 71 71 209 733 733 210 67 67 226 55 55 227 8 8 //