MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004917

FURFURAL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004917
RECORD_TITLE: FURFURAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: FURFURAL
CH$NAME: 2-FURALDEHYDE
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: CAS 98-01-1
CH$LINK: INCHIKEY HYBBIBNJHNGZAN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1020647

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9000000000-316042e81451a85c85c7
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  50 2.19 22
  51 2.64 26
  53 1.74 17
  67 2.27 23
  68 1.21 12
  95 91.9 919
  96 99.99 999
  97 6.05 61
//