MassBank Record: MSBNK-Waters-WA000739
ACCESSION: MSBNK-Waters-WA000739
RECORD_TITLE: Nortryptyline; 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$NAME: Nortryptyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21N
CH$EXACT_MASS: 263.16740
CH$SMILES: CNCCC=C(c21)c(c3)c(ccc3)CCc(cccc2)1
CH$IUPAC: InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
CH$LINK: CAS
72-69-5
CH$LINK: INCHIKEY
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9023384
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.500 min
AC$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: splash10-0ce9-0980000000-ab753a9893a72d2d54a4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
105 870 870
106 39 39
115 8 8
117 733 733
118 35 35
129 78 78
132 12 12
141 27 27
146 31 31
155 212 212
156 20 20
178 55 55
179 94 94
180 8 8
191 333 333
192 55 55
193 27 27
203 8 8
204 27 27
205 141 141
206 12 12
207 31 31
218 145 145
219 20 20
231 16 16
233 999 999
234 157 157
235 12 12
264 725 725
265 110 110
266 8 8
//