ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005932
RECORD_TITLE: PIVARIC ACID METHYL ESTER; CI-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$NAME: PIVARIC ACID METHYL ESTER
CH$NAME: METHYL PIVARATE
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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-01b9-9700000000-9cce7019d4adebaa48cf
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  70 3.13 31
  71 1.32 13
  74 99.99 999
  75 5.6 56
  84 3.17 32
  85 42.71 427
  86 2.67 27
  87 2.26 23
  99 1.58 16
  101 21.79 218
  102 1.74 17
  115 1.06 11
  116 25.04 250
  117 86.24 862
  118 4.59 46
//