ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006838
RECORD_TITLE: ALLYL TIGLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: ALLYL TIGLATE
CH$NAME: ALLYL 2-METHYL-2-BUTENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂O₂
CH$EXACT_MASS: 140.08373
CH$SMILES: C=CCOC(=O)C(C)=CC
CH$IUPAC: InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
CH$LINK: INCHIKEY ODOZNBUSHKFCSH-FNORWQNLSA-N

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$SPLASH: splash10-0560-9000000000-46f5257796adc2a4b13f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  15 1.01 10
  26 2.52 25
  27 20.91 209
  29 19.88 199
  38 2.13 21
  39 30.92 309
  41 28.84 288
  42 1.31 13
  43 4.96 50
  45 1.16 12
  50 1.6 16
  51 2.83 28
  52 1.33 13
  53 12.43 124
  54 7.42 74
  55 92.6 926
  56 6.17 62
  57 2.04 20
  67 1.77 18
  69 2.13 21
  79 1.93 19
  81 2.74 27
  82 2.24 22
  83 99.99 999
  84 6.6 66
  94 1.13 11
  95 18.5 185
  96 1.39 14
  97 1.49 15
  99 1.08 11
  111 1.21 12
  112 1.3 13
  125 16.3 163
  140 7.79 78
//