MassBank Record: MSBNK-Waters-WA001864
ACCESSION: MSBNK-Waters-WA001864
RECORD_TITLE: Carpipramine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Carpipramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C28H38N4O
CH$EXACT_MASS: 446.30456
CH$SMILES: C(N1CCCN(c45)c(c(CCc4cccc5)3)cccc3)CC(N(C2)CCCC2)(CC1)C(N)=O
CH$IUPAC: InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)
CH$LINK: CAS
5942-95-0
CH$LINK: INCHIKEY
NWPJLRSCSQHPJV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID40208149
AC$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$CHROMATOGRAPHY: RETENTION_TIME 15.580 min
AC$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, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-01ox-0920000000-f5db46e539642740c995
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
112 846 846
113 51 51
138 137 137
139 106 106
141 999 999
142 443 443
208 223 223
209 35 35
222 98 98
252 266 266
253 43 43
447 137 137
//
system version 2.2.6-SNAPSHOT