ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006496
RECORD_TITLE: METHALLYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHALLYL BUTYRATE
CH$NAME: 2-METHYLALLYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCC(=O)OCC(C)=C
CH$IUPAC: InChI=1S/C8H14O2/c1-4-5-8(9)10-6-7(2)3/h2,4-6H2,1,3H3
CH$LINK: INCHIKEY AHRIFIYGSJEEKU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30221706

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$SPLASH: splash10-00dl-9000000000-00b01cbfc8e9809ebe15
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.48 15
  26 1.76 18
  27 26.9 269
  28 3.93 39
  29 16.22 162
  38 1.51 15
  39 25.8 258
  40 3.37 34
  41 19.84 198
  42 6.89 69
  43 93.02 930
  44 3.09 31
  45 1.48 15
  53 5.03 50
  54 7.8 78
  55 26.07 261
  56 2.25 23
  57 3.2 32
  69 1.08 11
  71 99.99 999
  72 15.15 152
  89 2.14 21
//