ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007746
RECORD_TITLE: ETHYL 2-FUROATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL 2-FUROATE
CH$NAME: 2-FURANCARBOXYLIC ACID ETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈O₃
CH$EXACT_MASS: 140.04734
CH$SMILES: CCOC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C7H8O3/c1-2-9-7(8)6-4-3-5-10-6/h3-5H,2H2,1H3
CH$LINK: CAS 614-99-3
CH$LINK: COMPTOX DTXSID0060640
CH$LINK: INCHIKEY NHXSTXWKZVAVOQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11980

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0002-9400000000-f54c56863f6b3e469199
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 2.01 20
  29 12.1 121
  39 16.67 167
  40 3.96 40
  41 1 10
  42 1.96 20
  45 30.03 300
  51 1 10
  53 1.01 10
  55 2.03 20
  56 1.01 10
  67 5.54 55
  68 33.92 339
  69 1 10
  81 1.03 10
  84 8.03 80
  94 1.02 10
  95 99.99 999
  96 52.82 528
  97 9.92 99
  112 70.83 708
  113 13.92 139
  114 1.02 10
  125 2.98 30
  140 53.89 539
  141 8.56 86
//