ACCESSION: MSBNK-Waters-WA002736
RECORD_TITLE: Fenpiverinium; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-000i-0980000000-35e3e99bb5c9f6cba2af
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  100 302 302
  101 24 24
  104 20 20
  105 12 12
  106 12 12
  115 35 35
  117 400 400
  118 35 35
  120 43 43
  132 82 82
  165 12 12
  167 27 27
  182 404 404
  183 51 51
  193 27 27
  195 51 51
  208 16 16
  210 255 255
  211 43 43
  220 12 12
  238 999 999
  239 168 168
  240 20 20
//