ACCESSION: MSBNK-Waters-WA002051
RECORD_TITLE: Moclobemide; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Moclobemide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₇ClN₂O₂
CH$EXACT_MASS: 268.09786
CH$SMILES: Clc(c2)ccc(c2)C(=O)NCCN(C1)CCOC1
CH$IUPAC: InChI=1S/C13H17ClN2O2/c14-12-3-1-11(2-4-12)13(17)15-5-6-16-7-9-18-10-8-16/h1-4H,5-10H2,(H,15,17)
CH$LINK: CAS 71320-77-9
CH$LINK: INCHIKEY YHXISWVBGDMDLQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9040554

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 11.190 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 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-000i-0900000000-e0f5f277c450e4ca6381
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  111 341 341
  113 110 110
  114 12 12
  116 16 16
  129 294 294
  131 98 98
  134 35 35
  139 999 999
  140 31 31
  141 368 368
  142 16 16
  152 176 176
  154 63 63
  182 47 47
  184 20 20
//