ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007324
RECORD_TITLE: FURFURAL; EI-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$NAME: FURFURAL
CH$NAME: 2-FURANCARBOXALDEHYDE
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

AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9000000000-34f068d9c1909d5f383c
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.44 14
  25 1.16 12
  26 2.24 22
  28 5.79 58
  29 17.24 172
  36 1.6 16
  37 10.96 110
  38 17.95 180
  39 64.48 645
  40 6.53 65
  41 1.65 17
  42 5.29 53
  49 1.71 17
  50 2.63 26
  51 2.7 27
  53 1.74 17
  66 1.25 13
  67 5.55 56
  68 1.35 14
  95 90.41 904
  96 99.99 999
  97 6.24 62
//