MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005200

FURFURAL; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005200
RECORD_TITLE: FURFURAL; 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

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CH$NAME: FURFURAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₄O₂
CH$EXACT_MASS: 96.02113
CH$SMILES: O=Cc(c1)occ1
CH$IUPAC: InChI=1S/C5H4O2/c6-4-5-2-1-3-7-5/h1-4H
CH$LINK: INCHIKEY HYBBIBNJHNGZAN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020647

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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

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PK$SPLASH: splash10-0002-9000000000-c11251a363a8758eff6f
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  95 1.14 11
  96 3.35 34
  97 99.99 999
  98 6.32 63
//