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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003165

DEXTROPROPOXYPHENE; CI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003165
RECORD_TITLE: DEXTROPROPOXYPHENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YOSHIZUMI H, FAC. OF PHARMACY, MEIJO UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: DEXTROPROPOXYPHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C22H29NO2
CH$EXACT_MASS: 339.21983
CH$SMILES: CCC(=O)OC(Cc(c2)cccc2)(C(C)CN(C)C)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22+/m1/s1
CH$LINK: INCHIKEY XLMALTXPSGQGBX-GCJKJVERSA-N
CH$LINK: COMPTOX DTXSID1023524

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-067l-0393000000-d81188159d7476252fd4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  105 11 110
  131 75 750
  208 21 210
  209 80 800
  210 14 140
  266 99.99 999
  267 26 260
  340 67 670
  341 17 170
//

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