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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005207

FURFURYLAMINE; CI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005207
RECORD_TITLE: FURFURYLAMINE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: FURFURYLAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H7NO
CH$EXACT_MASS: 97.05276
CH$SMILES: NCc(c1)occ1
CH$IUPAC: InChI=1S/C5H7NO/c6-4-5-2-1-3-7-5/h1-3H,4,6H2
CH$LINK: INCHIKEY DDRPCXLAQZKBJP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6052295

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-000t-9000000000-d35675c994cd7e31233a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  79 0.94 9
  81 83.19 832
  82 5.43 54
  95 16.94 169
  96 3.92 39
  97 16.28 163
  98 99.99 999
  99 6.58 66
//

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