MassBank Record: WA002873



 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002873
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 45 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$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0970000000-dda85224bf9d796016a7 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 117 8 8 121 31 31 135 20 20 146 12 12 147 24 24 149 31 31 151 31 31 152 16 16 153 20 20 154 8 8 162 39 39 163 24 24 165 20 20 166 51 51 167 8 8 168 137 137 169 12 12 177 43 43 178 176 176 179 59 59 181 290 290 182 20 20 183 16 16 194 227 227 195 8 8 209 999 999 210 74 74 211 8 8 226 43 43 //