MassBank Record: MSBNK-Waters-WA002052
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
//
system version 2.2.8-SNAPSHOT