ACCESSION: MSBNK-Waters-WA002734
RECORD_TITLE: Fenpiverinium; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenpiverinium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₉N₂O⁺
CH$EXACT_MASS: 337.22799
CH$SMILES: C(C3)CC[N+1](C)(C3)CCC(C(N)=O)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H28N2O/c1-24(16-9-4-10-17-24)18-15-22(21(23)25,19-11-5-2-6-12-19)20-13-7-3-8-14-20/h2-3,5-8,11-14H,4,9-10,15-18H2,1H3,(H-,23,25)/p+1
CH$LINK: INCHIKEY QDIYJDPBMZUZEH-UHFFFAOYSA-O
CH$LINK: CAS 258329-46-3
CH$LINK: PUBCHEM CID:71490
CH$LINK: COMPTOX DTXSID7048376

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 12.800 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 90 V

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

PK$SPLASH: splash10-0uyi-0900000000-2013afb17d453d424f34
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  100 27 27
  104 999 999
  105 133 133
  115 337 337
  116 43 43
  117 259 259
  118 27 27
  120 12 12
  132 192 192
  133 20 20
  152 12 12
  165 71 71
  166 16 16
  167 27 27
  178 24 24
  182 392 392
  183 59 59
  193 12 12
  210 31 31
//