ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007182
RECORD_TITLE: ALLYL VALERATE; 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$NAME: ALLYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CCCCC(=O)OCC=C
CH$IUPAC: InChI=1S/C8H14O2/c1-3-5-6-8(9)10-7-4-2/h4H,2-3,5-7H2,1H3
CH$LINK: INCHIKEY PWYXVVREDGESBB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70212577

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$SPLASH: splash10-052u-9000000000-40c62462ebbb0d0d2527
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.73 17
  26 3.36 34
  27 22.44 224
  29 39.56 396
  30 1.12 11
  31 1.75 18
  38 1.92 19
  39 33.39 334
  40 2.32 23
  41 94.22 942
  42 7.41 74
  43 9.13 91
  45 1.54 15
  53 1.28 13
  54 4.6 46
  55 24.16 242
  56 9.17 92
  57 96.57 966
  58 7.85 79
  59 5.04 50
  82 1.84 18
  83 5.37 54
  85 99.99 999
  86 5.81 58
  99 1.1 11
  100 15.3 153
  101 1.43 14
  103 1.34 13
  113 3.29 33
//