ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008488
RECORD_TITLE: 3-METHYL-3-BUTENYL BENZOATE; 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$NAME: 3-METHYL-3-BUTENYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H14O2
CH$EXACT_MASS: 190.09938
CH$SMILES: CC(=C)CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H14O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h3-7H,1,8-9H2,2H3
CH$LINK: INCHIKEY BBTRQSDRTFFNSW-UHFFFAOYSA-N
AC$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: splash10-066r-9300000000-08620d4fa318940f5a82
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 7.07 71
  29 1.87 19
  39 12.59 126
  41 11.09 111
  42 1.22 12
  50 4.69 47
  51 19.33 193
  52 1.74 17
  53 7.63 76
  55 1.45 15
  66 1.03 10
  67 16.2 162
  68 99.99 999
  69 4.84 48
  74 1.13 11
  76 2.51 25
  77 48.22 482
  78 2.91 29
  79 1.25 13
  105 81.91 819
  106 5.34 53
  123 2.9 29
//
