MassBank Record: MSBNK-Waters-WA002916
ACCESSION: MSBNK-Waters-WA002916
RECORD_TITLE: Norverapamil; 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$NAME: Norverapamil
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H36N2O4
CH$EXACT_MASS: 440.26751
CH$SMILES: C(C(C(C)C)(c(c2)cc(c(OC)c2)OC)C#N)CCNCCc(c1)cc(OC)c(OC)c1
CH$IUPAC: InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-23(30-4)25(17-21)32-6)13-7-14-28-15-12-20-8-10-22(29-3)24(16-20)31-5/h8-11,16-17,19,28H,7,12-15H2,1-6H3
CH$LINK: CAS
67018-85-3
CH$LINK: INCHIKEY
UPKQNCPKPOLASS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80873799
AC$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$CHROMATOGRAPHY: RETENTION_TIME 16.180 min
AC$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: splash10-00kf-0500900000-6ab8890fcd72f2e3f8a4
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
150 35 35
151 12 12
165 893 893
166 129 129
260 35 35
289 71 71
290 12 12
414 12 12
441 999 999
442 525 525
443 67 67
463 59 59
464 16 16
479 24 24
//