ACCESSION: MSBNK-Waters-WA002914
RECORD_TITLE: Norverapamil; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-0gb9-0900000000-7ed17aab94d24c453320
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  103 98 98
  105 411 411
  106 24 24
  107 71 71
  109 27 27
  118 71 71
  119 35 35
  120 67 67
  121 71 71
  122 59 59
  123 20 20
  124 16 16
  131 16 16
  133 274 274
  134 180 180
  135 255 255
  136 35 35
  137 39 39
  138 27 27
  139 16 16
  146 16 16
  150 889 889
  151 212 212
  152 31 31
  153 20 20
  165 999 999
  166 204 204
  167 12 12
  177 47 47
  179 12 12
  191 12 12
  218 24 24
  220 27 27
  247 31 31
  260 67 67
  289 51 51
  441 98 98
  442 24 24
  463 24 24
  479 31 31
//