ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009067
RECORD_TITLE: 3-METHYL-2-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$NAME: 3-METHYL-2-BUTENYL BENZOATE
CH$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/h3-8H,9H2,1-2H3
CH$LINK: INCHIKEY INVWRXWYYVMFQC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8047131
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$SPLASH: splash10-066r-9200000000-ff260d9f3b3a70eb5fad
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 1.92 19
  27 14.68 147
  29 5.68 57
  37 1.72 17
  38 3.86 39
  39 25.41 254
  41 45.15 452
  42 5.85 59
  43 1.9 19
  50 8.01 80
  51 22.43 224
  52 3.32 33
  53 25.86 259
  54 2.01 20
  55 1.92 19
  62 1.06 11
  63 1.25 13
  65 2.66 27
  66 2.19 22
  67 37.01 370
  68 71.83 718
  69 37.82 378
  70 2.18 22
  74 1.52 15
  76 2.03 20
  77 41.03 410
  78 3.58 36
  79 1.83 18
  85 5.55 56
  105 99.99 999
  106 6.63 66
  122 1.79 18
  123 2.53 25
  131 1.34 13
  190 2.32 23
//
