ACCESSION: MSBNK-Waters-WA002872
RECORD_TITLE: 3,4,5-Trimethoxyamphetamine; LC-ESI-Q; MS; POS; 60 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 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
//