MassBank Record: MSBNK-Waters-WA002815
ACCESSION: MSBNK-Waters-WA002815
RECORD_TITLE: O-Desmethylvenlafaxine; 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$NAME: O-Desmethylvenlafaxine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H25NO2
CH$EXACT_MASS: 263.18853
CH$SMILES: CN(C)CC(c(c2)ccc(O)c2)C(O)(C1)CCCC1
CH$IUPAC: InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
CH$LINK: CAS
93413-62-8
CH$LINK: INCHIKEY
KYYIDSXMWOZKMP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40869118
AC$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$CHROMATOGRAPHY: RETENTION_TIME 11.060 min
AC$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: splash10-0a4i-0900000000-59698e7780e390bdfa93
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
103 16 16
105 168 168
107 999 999
108 47 47
115 20 20
117 16 16
118 59 59
119 12 12
121 39 39
131 39 39
133 219 219
134 12 12
141 12 12
144 16 16
145 74 74
146 27 27
147 8 8
148 20 20
149 20 20
159 59 59
163 8 8
164 255 255
165 43 43
264 24 24
278 12 12
//
system version 2.2.6-SNAPSHOT