ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006542
RECORD_TITLE: ALLYL HEPTANOATE; 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$NAME: ALLYL HEPTANOATE
CH$NAME: 2-PROPENYL HEPTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₂
CH$EXACT_MASS: 170.13068
CH$SMILES: CCCCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C10H18O2/c1-3-5-6-7-8-10(11)12-9-4-2/h4H,2-3,5-9H2,1H3
CH$LINK: INCHIKEY SJWKGDGUQTWDRV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3044754

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$SPLASH: splash10-0006-9200000000-2e459b52b81578cb3267
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  26 1.81 18
  27 20.16 202
  29 20.53 205
  31 1.3 13
  38 1.34 13
  39 27.24 272
  40 2.53 25
  41 88.11 881
  42 10.64 106
  43 99.99 999
  44 2.6 26
  45 2.77 28
  53 2.19 22
  54 8.08 81
  55 33.03 330
  56 11.48 115
  57 19.22 192
  58 7.73 77
  59 1.02 10
  60 1.09 11
  67 2.01 20
  68 2.12 21
  69 20.56 206
  70 1.53 15
  71 1.21 12
  73 1.33 13
  81 1.54 15
  82 2.85 29
  83 15.8 158
  84 3.4 34
  85 25.7 257
  86 1.59 16
  87 2.14 21
  95 3.52 35
  99 1.93 19
  100 27.84 278
  101 2.17 22
  111 3.27 33
  113 72.49 725
  114 5.58 56
  127 3.02 30
  141 1.23 12
//