ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005212
RECORD_TITLE: 5-METHYL-2-FURFURAL; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-03di-0900000000-a5a13e591b36b86e11b6
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  97 1.88 19
  109 1.34 13
  110 6.31 63
  111 99.99 999
  112 6.72 67
//