ACCESSION: MSBNK-Waters-WA001824
RECORD_TITLE: Aprindine; 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$NAME: Aprindine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₃₀N₂
CH$EXACT_MASS: 322.24090
CH$SMILES: CCN(CC)CCCN(c(c3)cccc3)C(C1)Cc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C22H30N2/c1-3-23(4-2)15-10-16-24(21-13-6-5-7-14-21)22-17-19-11-8-9-12-20(19)18-22/h5-9,11-14,22H,3-4,10,15-18H2,1-2H3
CH$LINK: CAS 37640-71-4
CH$LINK: INCHIKEY NZLBHDRPUJLHCE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3022615

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 14.140 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$SPLASH: splash10-03xr-0900000000-59ec37819f0219f082dc
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  106 337 337
  107 24 24
  114 999 999
  115 454 454
  116 59 59
  117 321 321
  118 27 27
  134 74 74
  178 12 12
  207 8 8
  222 16 16
  250 31 31
  323 51 51
  324 12 12
//