ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006965
RECORD_TITLE: ALLYL ISOBUTYRATE; 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$NAME: ALLYL ISOBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: C=CCOC(=O)C(C)C
CH$IUPAC: InChI=1S/C7H12O2/c1-4-5-9-7(8)6(2)3/h4,6H,1,5H2,2-3H3
CH$LINK: INCHIKEY QNBDJTKBKITRJI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90166240

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$SPLASH: splash10-0006-9000000000-5aba6975562cf61c90ba
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 2.06 21
  18 2.36 24
  26 2.25 23
  27 19.12 191
  28 1.84 18
  29 2.1 21
  38 1.82 18
  39 21.07 211
  40 1.93 19
  41 55.8 558
  42 4.64 46
  43 99.99 999
  44 2.61 26
  45 1.19 12
  55 1.75 18
  57 5.89 59
  58 2.45 25
  70 1.2 12
  71 45.05 451
  72 1.65 17
//