MassBank Record: MSBNK-Waters-WA000320
ACCESSION: MSBNK-Waters-WA000320
RECORD_TITLE: Venlafaxine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Venlafaxine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H27NO2
CH$EXACT_MASS: 277.20418
CH$SMILES: COc(c2)ccc(c2)C(CN(C)C)C(O)(C1)CCCC1
CH$IUPAC: InChI=1S/C17H27NO2/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14/h7-10,16,19H,4-6,11-13H2,1-3H3
CH$LINK: CAS
93413-69-5
CH$LINK: INCHIKEY
PNVNVHUZROJLTJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6023737
AC$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$CHROMATOGRAPHY: RETENTION_TIME 12.320 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-00di-0950000000-073887d671d809237618
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
107 74 74
109 8 8
121 999 999
122 67 67
123 8 8
132 12 12
133 12 12
135 47 47
147 321 321
148 31 31
152 24 24
159 102 102
160 8 8
161 12 12
163 12 12
173 102 102
174 16 16
177 12 12
178 47 47
179 8 8
183 12 12
184 8 8
187 8 8
215 419 419
216 51 51
260 396 396
261 67 67
278 290 290
279 39 39
//
system version 2.2.6-SNAPSHOT