ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007743
RECORD_TITLE: 5-METHHYLFURFURAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHHYLFURFURAL
CH$NAME: 5-METHYL-2-FURANCARBOXALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₂
CH$EXACT_MASS: 110.03678
CH$SMILES: O=Cc(c1)oc(C)c1
CH$IUPAC: InChI=1S/C6H6O2/c1-5-2-3-6(4-7)8-5/h2-4H,1H3
CH$LINK: CAS 620-02-0
CH$LINK: INCHIKEY OUDFNZMQXZILJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060714

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ik9-9500000000-a4ea6639be196a5f2f38
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 26.16 262
  28 1.83 18
  29 2.83 28
  39 15.61 156
  40 1.74 17
  42 1 10
  43 10.65 107
  51 4.08 41
  52 6.85 69
  53 78.73 787
  54 7.71 77
  55 1.1 11
  79 1 10
  80 1.02 10
  81 13.86 139
  82 1.01 10
  110 99.99 999
  111 6.82 68
//