ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006824
RECORD_TITLE: PRENYL ACETATE; 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$NAME: PRENYL ACETATE
CH$NAME: 3-METHYL-2-BUTENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₂O₂
CH$EXACT_MASS: 128.08373
CH$SMILES: CC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C7H12O2/c1-6(2)4-5-9-7(3)8/h4H,5H2,1-3H3
CH$LINK: INCHIKEY XXIKYCPRDXIMQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047128

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$SPLASH: splash10-014l-9000000000-d42ea79643d21b0c3917
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 7.14 71
  27 15.15 152
  29 13.34 133
  31 1.13 11
  38 1.64 16
  39 22.11 221
  40 9.63 96
  41 56.52 565
  42 8.06 81
  43 99.99 999
  44 2.39 24
  45 1.17 12
  50 1.59 16
  51 2.87 29
  52 1.77 18
  53 26.95 270
  54 2.6 26
  55 3.69 37
  56 1.54 15
  57 8.39 84
  61 1.15 12
  65 1.37 14
  66 2.02 20
  67 53.47 535
  68 87.25 873
  69 35.37 354
  70 1.78 18
  71 25.18 252
  72 1.02 10
  83 2 20
  85 11.15 112
  86 18.06 181
  128 3.27 33
//