ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007744
RECORD_TITLE: METHYL2-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$NAME: METHYL2-FUROATE
CH$NAME: 2-FURANCARBOXYLIC ACID METHYL ESTER
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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0002-9200000000-833b7b9afa39f92824b3
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 3.12 31
  29 2.14 21
  38 2.01 20
  39 43.82 438
  40 3.08 31
  41 1.02 10
  42 1.02 10
  45 1.05 11
  51 1.03 10
  53 2.01 20
  55 1 10
  59 2.28 23
  66 1.12 11
  67 5.24 52
  68 12.58 126
  69 1.12 11
  95 99.99 999
  96 12.35 124
  97 1.14 11
  126 47.03 470
  127 4.16 42
//