ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002554
RECORD_TITLE: METHYL ISOBUTYRATE; 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$NAME: METHYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₀O₂
CH$EXACT_MASS: 102.06808
CH$SMILES: COC(=O)C(C)C
CH$IUPAC: InChI=1S/C5H10O2/c1-4(2)5(6)7-3/h4H,1-3H3
CH$LINK: INCHIKEY BHIWKHZACMWKOJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5060275

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$SPLASH: splash10-0006-9000000000-cd801699f9c2a557b43f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 16.29 163
  26 2.57 26
  27 20.97 210
  28 3.5 35
  29 2.53 25
  31 1.99 20
  33 1.42 14
  38 1.42 14
  39 10.83 108
  40 2.2 22
  41 29.54 295
  42 14.2 142
  43 99.99 999
  44 3.47 35
  45 1.38 14
  55 5.21 52
  59 20.65 207
  61 4.61 46
  70 1.23 12
  71 39.88 399
  72 1.86 19
  74 3.91 39
  87 18.6 186
  102 17.95 180
  103 1.05 11
//