ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006491
RECORD_TITLE: METHYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL BUTYRATE
CH$NAME: BUTANOIC ACID METHYL ESTER
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-006x-9000000000-baf5efad57ba73b6f451
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  14 1.29 13
  15 24.88 249
  26 4.63 46
  27 35.15 352
  28 6.87 69
  29 11.99 120
  30 1.43 14
  31 5.04 50
  33 1.12 11
  37 1 10
  38 2.75 28
  39 21.02 210
  40 3.1 31
  41 38.17 382
  42 17.85 179
  43 99.99 999
  44 4.88 49
  45 4.84 48
  55 9.89 99
  59 26.13 261
  69 1.4 14
  71 59.31 593
  72 2.67 27
  74 77.62 776
  75 2.83 28
  87 20 200
  102 1.5 15
//