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MassBank Record: WA002735

Fenpiverinium; LC-ESI-Q; MS; POS; 75 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002735
RECORD_TITLE: Fenpiverinium; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-00lr-0910000000-1efe24339c0a2170664a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  100 153 153
  104 423 423
  105 55 55
  106 20 20
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  117 744 744
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  132 349 349
  133 31 31
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  166 12 12
  167 55 55
  178 27 27
  180 12 12
  182 999 999
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  184 12 12
  193 31 31
  195 24 24
  208 16 16
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  211 39 39
  220 12 12
  238 192 192
  239 31 31
//

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