ACCESSION: MSBNK-Waters-WA002052
RECORD_TITLE: Moclobemide; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-000i-0900000000-3235718383528c900a32
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  111 86 86
  113 24 24
  114 31 31
  129 78 78
  131 24 24
  134 12 12
  139 999 999
  140 31 31
  141 372 372
  142 16 16
  152 51 51
  154 16 16
  182 235 235
  183 16 16
  184 86 86
//