ACCESSION: MSBNK-Waters-WA002915
RECORD_TITLE: Norverapamil; LC-ESI-Q; MS; POS; 60 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 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-014l-0910200000-01d6edace954a33ae5e8
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  105 82 82
  107 12 12
  121 12 12
  122 20 20
  133 86 86
  134 35 35
  135 67 67
  137 16 16
  150 498 498
  151 90 90
  153 16 16
  165 999 999
  166 313 313
  167 27 27
  177 27 27
  240 12 12
  247 35 35
  260 90 90
  261 16 16
  289 149 149
  290 24 24
  441 525 525
  442 133 133
  443 24 24
  463 43 43
  479 24 24
//