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MassBank Record: MSBNK-Waters-WA002735

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

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

ACCESSION: MSBNK-Waters-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
  115 294 294
  116 20 20
  117 744 744
  118 63 63
  120 55 55
  132 349 349
  133 31 31
  165 47 47
  166 12 12
  167 55 55
  178 27 27
  180 12 12
  182 999 999
  183 149 149
  184 12 12
  193 31 31
  195 24 24
  208 16 16
  210 243 243
  211 39 39
  220 12 12
  238 192 192
  239 31 31
//

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