ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005832
RECORD_TITLE: METHYL SORBATE; 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$NAME: METHYL SORBATE
CH$NAME: SORBIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₀O₂
CH$EXACT_MASS: 126.06808
CH$SMILES: CC=CC=CC(=O)OC
CH$IUPAC: InChI=1S/C7H10O2/c1-3-4-5-6-7(8)9-2/h3-6H,1-2H3/b4-3+,6-5+
CH$LINK: INCHIKEY KWKVAGQCDSHWFK-VNKDHWASSA-N
CH$LINK: COMPTOX DTXSID30862370

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$SPLASH: splash10-0401-8900000000-29d57d8fbbe1a767d341
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  41 7.56 76
  43 1.17 12
  53 1.07 11
  55 3.55 36
  59 2.22 22
  65 6.63 66
  66 20.84 208
  67 67 670
  68 4.89 49
  72 2.17 22
  79 1.19 12
  81 1.41 14
  83 5.36 54
  85 1 10
  93 1.62 16
  94 3 30
  95 54.01 540
  96 4.26 43
  97 2.24 22
  98 1.43 14
  111 99.99 999
  112 6.75 68
  125 4.95 50
  126 75.99 760
  127 5.19 52
//