ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010900
RECORD_TITLE: METHYL 2-ETHYLBUTYRATE; 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$NAME: METHYL 2-ETHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O₂
CH$EXACT_MASS: 130.09938
CH$SMILES: CCC(CC)C(=O)OC
CH$IUPAC: InChI=1S/C7H14O2/c1-4-6(5-2)7(8)9-3/h6H,4-5H2,1-3H3
CH$LINK: INCHIKEY UNEAEGWIVFZPFI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40231215

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$SPLASH: splash10-0udl-9400000000-f222a9f3db4bb91e9b87
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  15 5.4 54
  16 1.5 15
  26 2.1 21
  27 10.5 105
  38 1.2 12
  39 10.4 104
  41 14.9 149
  42 5.8 58
  43 53.5 535
  45 1.6 16
  53 2.3 23
  54 1.1 11
  55 17.6 176
  56 2.4 24
  59 13.4 134
  69 9.2 92
  70 6.4 64
  71 31.6 316
  72 2.4 24
  73 2.3 23
  74 2.3 23
  87 63.7 637
  88 5.2 52
  99 16.5 165
  100 2.4 24
  101 29.8 298
  102 99.99 999
  103 4.9 49
  104 1.3 13
  115 6.3 63
  116 1.2 12
//