MassBank Record: MSBNK-Waters-WA002051
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
//