ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006518
RECORD_TITLE: ALLYL ISOPENTANOATE; 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$NAME: ALLYL ISOPENTANOATE
CH$NAME: ALLYL ISOVALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: C=CCOC(=O)CC(C)C
CH$IUPAC: InChI=1S/C8H14O2/c1-4-5-10-8(9)6-7(2)3/h4,7H,1,5-6H2,2-3H3
CH$LINK: INCHIKEY HOMAGVUCNZNWBC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4039233

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$SPLASH: splash10-052u-9000000000-7354044a3e73badab547
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.69 17
  26 1.91 19
  27 15.64 156
  29 18.25 183
  31 1.32 13
  38 2.37 24
  39 33.28 333
  41 95.47 955
  42 10.83 108
  43 20.93 209
  45 1.28 13
  53 1.31 13
  54 4.53 45
  55 13.43 134
  56 7.64 76
  57 98.1 981
  58 8.84 88
  59 18.01 180
  60 1.26 13
  69 3.97 40
  81 1.76 18
  82 2.5 25
  83 1.42 14
  85 99.99 999
  86 5.37 54
  99 1.69 17
  100 16.13 161
  101 1.7 17
  103 1.46 15
//