MassBank Record: MSBNK-Waters-WA000282
ACCESSION: MSBNK-Waters-WA000282
RECORD_TITLE: Protriptyline; 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$NAME: Protriptyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H21N
CH$EXACT_MASS: 263.16740
CH$SMILES: CNCCCC(c21)c(c3)c(ccc3)C=Cc(cccc2)1
CH$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/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
CH$LINK: CAS
438-60-8
CH$LINK: INCHIKEY
BWPIARFWQZKAIA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0023535
AC$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$CHROMATOGRAPHY: RETENTION_TIME 14.200 min
AC$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: splash10-0900-0890000000-e648c1faea5805c47303
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
105 145 145
117 337 337
118 20 20
129 55 55
155 529 529
156 55 55
178 43 43
179 39 39
191 447 447
192 63 63
205 74 74
206 12 12
218 39 39
231 16 16
233 392 392
234 63 63
264 999 999
265 172 172
266 16 16
296 16 16
//