ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008701
RECORD_TITLE: 5-METHYLFURFURAL; 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$NAME: 5-METHYLFURFURAL
CH$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$LINK: INCHIKEY OUDFNZMQXZILJD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1060714

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$SPLASH: splash10-114i-9700000000-9e971b7e848b7697026f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.32 23
  26 4.62 46
  27 25.46 255
  28 4.06 41
  29 13.15 132
  37 4.58 46
  38 6.34 63
  39 15.56 156
  41 1.45 15
  42 2.39 24
  43 11.45 115
  49 2.89 29
  50 16.41 164
  51 19.36 194
  52 10.77 108
  53 66.36 664
  54 5.33 53
  55 1.03 10
  79 1.99 20
  80 1.44 14
  81 12.31 123
  95 1.02 10
  109 87.05 871
  110 99.99 999
  111 5.88 59
//