ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010899
RECORD_TITLE: ALLYL 2-METHYLBUTYRATE; 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$NAME: ALLYL 2-METHYLBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: C=CCOC(=O)C(C)CC
CH$IUPAC: InChI=1S/C8H14O2/c1-4-6-10-8(9)7(3)5-2/h4,7H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY ZSPLJXGRHFJQKO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60916875

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$SPLASH: splash10-0a4u-9000000000-bfebaad07a4111b37762
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  26 1.5 15
  27 10.7 107
  29 25.4 254
  38 1 10
  39 17.5 175
  41 53.3 533
  42 2.2 22
  43 1.4 14
  45 1.3 13
  55 6.1 61
  56 5.5 55
  57 99.99 999
  58 6.3 63
  69 4.2 42
  73 1 10
  85 33.6 336
  86 1.7 17
  114 4.8 48
//