ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007065
RECORD_TITLE: ALLYL ACETATE; 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$NAME: ALLYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₈O₂
CH$EXACT_MASS: 100.05243
CH$SMILES: C=CCOC(C)=O
CH$IUPAC: InChI=1S/C5H8O2/c1-3-4-7-5(2)6/h3H,1,4H2,2H3
CH$LINK: CAS 591-87-7
CH$LINK: INCHIKEY FWZUNOYOVVKUNF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9024437

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$SPLASH: splash10-0006-9000000000-12306a8743c250d0064d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  14 1.22 12
  15 7.73 77
  18 3.78 38
  26 2.93 29
  27 6.81 68
  28 2.31 23
  29 5.68 57
  31 1.29 13
  37 1.17 12
  38 2.92 29
  39 20.09 201
  40 4.24 42
  41 20.65 207
  42 5.12 51
  43 99.99 999
  44 3.87 39
  55 1.02 10
  57 10.87 109
  58 14.5 145
  61 3.16 32
  72 1.28 13
//