ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005206
RECORD_TITLE: FURFURYL ALCOHOL; 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$NAME: FURFURYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆O₂
CH$EXACT_MASS: 98.03678
CH$SMILES: OCc(c1)occ1
CH$IUPAC: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
CH$LINK: INCHIKEY XPFVYQJUAUNWIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2025347

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$SPLASH: splash10-001i-9000000000-fc71fe7245665e4e9c66
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  81 99.99 999
  82 7.42 74
  84 0.93 9
  85 2.31 23
  87 1.77 18
  97 1.66 17
  98 10.82 108
  99 2.14 21
//