ACCESSION: MSBNK-Waters-WA002816
RECORD_TITLE: O-Desmethylvenlafaxine; 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$NAME: O-Desmethylvenlafaxine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₅NO₂
CH$EXACT_MASS: 263.18853
CH$SMILES: CN(C)CC(c(c2)ccc(O)c2)C(O)(C1)CCCC1
CH$IUPAC: InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
CH$LINK: CAS 93413-62-8
CH$LINK: INCHIKEY KYYIDSXMWOZKMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40869118

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 11.060 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$SPLASH: splash10-0a4i-0900000000-9785c6de8bc348c99ca0
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  105 43 43
  107 999 999
  108 47 47
  109 8 8
  117 8 8
  118 8 8
  119 16 16
  121 47 47
  131 24 24
  133 368 368
  134 27 27
  145 102 102
  146 8 8
  147 12 12
  148 8 8
  149 12 12
  159 114 114
  160 12 12
  163 12 12
  164 180 180
  165 39 39
  173 8 8
  201 39 39
  246 27 27
  263 12 12
  264 35 35
  278 98 98
  279 12 12
//