ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009048
RECORD_TITLE: METHYL 2-FUROATE; 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$NAME: METHYL 2-FUROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₃
CH$EXACT_MASS: 126.03169
CH$SMILES: COC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C6H6O3/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3
CH$LINK: CAS 611-13-2
CH$LINK: INCHIKEY HDJLSECJEQSPKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060598

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$SPLASH: splash10-0002-9100000000-aa000da7d8c856d2def3
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 3.37 34
  27 1.38 14
  29 5.15 52
  37 4.69 47
  38 10.65 107
  39 23.92 239
  41 1.08 11
  51 1 10
  53 1.76 18
  59 1.24 12
  66 1.32 13
  67 3.02 30
  68 4.72 47
  81 1.03 10
  95 99.99 999
  96 9.02 90
  126 34.53 345
  127 2.18 22
//