ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002543
RECORD_TITLE: METHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: CCCC(=O)OC
CH$IUPAC: InChI=1S/C5H10O2/c1-3-4-5(6)7-2/h3-4H2,1-2H3
CH$LINK: INCHIKEY UUIQMZJEGPQKFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047083

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00dl-9000000000-b0683e7f6a55b4e40d11
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  14 1.67 17
  15 29.15 292
  26 3.76 38
  27 33.01 330
  28 6 60
  29 6.9 69
  31 4.98 50
  33 1.61 16
  37 1.02 10
  38 2.35 24
  39 16.75 168
  40 2.54 25
  41 35.72 357
  42 10.49 105
  43 88.58 886
  44 2.95 30
  45 2.71 27
  55 10.04 100
  59 24.94 249
  69 1.95 20
  70 1.33 13
  71 75.3 753
  72 3.42 34
  74 99.99 999
  75 3.59 36
  87 25.04 250
  88 1.23 12
  101 1.24 12
  102 4.42 44
//