ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008546
RECORD_TITLE: 3-METHYLBUTYL PHENYLACETATE; 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$NAME: 3-METHYLBUTYL PHENYLACETATE
CH$NAME: ISOPENTYL PHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CC(C)CCOC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-11(2)8-9-15-13(14)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3
CH$LINK: INCHIKEY QWBQBUWZZBUFHN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2044501
AC$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: splash10-0006-9000000000-47d6d9280e951b61b4bf
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  27 8.26 83
  28 2.45 25
  29 9.85 99
  39 11.42 114
  40 1.21 12
  41 18.44 184
  42 3.68 37
  43 99.99 999
  44 3.78 38
  51 3.36 34
  52 1.04 10
  53 1.08 11
  55 12.85 129
  63 3.92 39
  64 1.33 13
  65 17.14 171
  69 2.19 22
  70 47.36 474
  71 23.01 230
  72 1.14 11
  89 4.67 47
  90 3.87 39
  91 96.96 970
  92 19.19 192
  93 1.04 10
  119 3.17 32
  136 16.3 163
  137 4.89 49
  206 1.47 15
//
