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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006960

1,1-DIMETHYL-2-PHENYLETHYL BUTYRATE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006960
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL BUTYRATE; 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H20O2
CH$EXACT_MASS: 220.14633
CH$SMILES: CCCC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C14H20O2/c1-4-8-13(15)16-14(2,3)11-12-9-6-5-7-10-12/h5-7,9-10H,4,8,11H2,1-3H3
CH$LINK: INCHIKEY SHSGYHAHMQLYRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5038830

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$SPLASH: splash10-00dl-9200000000-c7d5914837406e6d5d1e
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  27 7.11 71
  29 2.38 24
  39 5.9 59
  41 9.47 95
  42 1.97 20
  43 41.62 416
  44 1 10
  51 1.79 18
  55 4.21 42
  59 2.39 24
  63 1.2 12
  65 5.61 56
  71 99.99 999
  72 3.27 33
  77 1.94 19
  78 1.1 11
  89 1.25 13
  91 28.24 282
  92 2.3 23
  105 1.66 17
  115 2.24 22
  117 8.07 81
  129 3.3 33
  131 1.28 13
  132 30.34 303
  133 9.52 95
  162 1.86 19
//

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