ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010875
RECORD_TITLE: METHYL PIVALATE; 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$NAME: METHYL PIVALATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂O₂
CH$EXACT_MASS: 116.08373
CH$SMILES: COC(=O)C(C)(C)C
CH$IUPAC: InChI=1S/C6H12O2/c1-6(2,3)5(7)8-4/h1-4H3
CH$LINK: INCHIKEY CNMFHDIDIMZHKY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4027234

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$SPLASH: splash10-0a4i-9000000000-030072575a6a9ee832fb
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 11 110
  27 8.8 88
  29 25.9 259
  38 1.2 12
  39 17.2 172
  40 2.4 24
  41 47.8 478
  42 4.9 49
  43 2 20
  53 1 10
  55 3.7 37
  56 23.6 236
  57 99.99 999
  58 4.2 42
  59 7.3 73
  69 3 30
  73 13.6 136
  85 5.8 58
  101 3 30
  116 2.8 28
//