ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007084
RECORD_TITLE: METHYL 2-METHYLBUTYRATE; 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$NAME: METHYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)C(=O)OC
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
CH$LINK: CAS 868-57-5
CH$LINK: INCHIKEY OCWLYWIFNDCWRZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1052587

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$SPLASH: splash10-052r-9000000000-8e5fb68d71a8de2419d0
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 12.34 123
  26 3.49 35
  27 22.58 226
  29 44.19 442
  30 1.26 13
  31 2.53 25
  38 1.24 12
  39 17.05 171
  41 54.04 540
  42 4.23 42
  43 2.25 23
  45 2.44 24
  51 1.02 10
  53 2.69 27
  55 11.52 115
  56 19.27 193
  57 97.58 976
  58 4.59 46
  59 23.22 232
  60 1.09 11
  61 1.26 13
  69 8.55 86
  73 2.66 27
  85 31.39 314
  86 1.46 15
  87 8.66 87
  88 99.99 999
  89 5.22 52
  101 27.61 276
  102 1.24 12
//