ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009098
RECORD_TITLE: FURFURYL FORMATE; 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$NAME: FURFURYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₃
CH$EXACT_MASS: 126.03169
CH$SMILES: O=COCc(c1)occ1
CH$IUPAC: InChI=1S/C6H6O3/c7-5-8-4-6-2-1-3-9-6/h1-3,5H,4H2
CH$LINK: INCHIKEY FPRQARNPKWVCNI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30878890

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$SPLASH: splash10-0fai-9100000000-1d01d927f539431cd6e1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  26 2.94 29
  27 16.14 161
  29 16.92 169
  31 3.72 37
  37 3.14 31
  38 5.99 60
  39 16.36 164
  40 1.22 12
  41 8.24 82
  42 4.51 45
  43 1.52 15
  50 6.93 69
  51 11.26 113
  52 26.68 267
  53 42.19 422
  54 2.01 20
  55 1.33 13
  69 3.67 37
  70 3.13 31
  80 25.31 253
  81 99.99 999
  82 5.58 56
  95 3.44 34
  97 3.52 35
  98 7.11 71
  126 49.04 490
  127 3.16 32
//