ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005293
RECORD_TITLE: 5-METHYL-2-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$NAME: 5-METHYL-2-FURFURAL
CH$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$LINK: COMPTOX DTXSID1060714
CH$LINK: INCHIKEY OUDFNZMQXZILJD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12097

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$SPLASH: splash10-0nmi-8900000000-5ccf71472dd6f90fd628
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  14 1.07 11
  15 3.45 35
  26 4.88 49
  27 25.59 256
  28 2.5 25
  29 6.78 68
  37 3.57 36
  38 5.35 54
  39 13.57 136
  41 1.07 11
  42 2.26 23
  43 10.36 104
  49 2.38 24
  50 10.12 101
  51 12.97 130
  52 6.9 69
  53 52.5 525
  54 4.76 48
  55 1.19 12
  79 2.14 21
  80 1.66 17
  81 10.71 107
  82 1.07 11
  95 3.21 32
  96 2.02 20
  109 86.42 864
  110 99.99 999
  111 7.02 70
//