ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008486
RECORD_TITLE: 2-METHYLPROPYL 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$NAME: 2-METHYLPROPYL BENZOATE
CH$NAME: ISOBUTYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(C)COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(2)8-13-11(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
CH$LINK: INCHIKEY KYZHGEFMXZOSJN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047074
AC$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: splash10-0a4i-7900000000-7905fa6f0a7dc13f612f
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 5.33 53
  29 3.6 36
  39 5.51 55
  41 9.5 95
  43 2.65 27
  50 4.66 47
  51 16.66 167
  55 1.1 11
  56 23.83 238
  57 2.06 21
  74 1.06 11
  76 2.14 21
  77 41.54 415
  78 3.21 32
  79 2.27 23
  105 99.99 999
  106 8.18 82
  122 1.73 17
  123 45.12 451
  124 3.49 35
//
