ACCESSION: MSBNK-Waters-WA002873
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 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
//