ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008700
RECORD_TITLE: FURFURAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-000b-9000000000-0ba2bcde82e913fd4d05
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  25 1.32 13
  26 2.21 22
  29 24.7 247
  36 1.94 19
  37 14.91 149
  38 24.49 245
  39 76.07 761
  40 5.16 52
  41 2.32 23
  42 5.21 52
  49 2.03 20
  50 3.17 32
  51 3.12 31
  53 2.16 22
  66 1.32 13
  67 4.68 47
  68 1.56 16
  95 89.21 892
  96 99.99 999
  97 4.93 49
//