MassBank Record: JP008559

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1,1-DIMETHYL-3-PHENYLPROPYL BUTYRATE; EI-B; MS

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

ACCESSION: JP008559
RECORD_TITLE: 1,1-DIMETHYL-3-PHENYLPROPYL 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$NAME: 1,1-DIMETHYL-3-PHENYLPROPYL BUTYRATE
CH$NAME: DIMETHYL PHENYLETHYL CARBINYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H22O2
CH$EXACT_MASS: 234.16198
CH$SMILES: CCCC(=O)OC(C)(C)CCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H22O2/c1-4-8-14(16)17-15(2,3)12-11-13-9-6-5-7-10-13/h5-7,9-10H,4,8,11-12H2,1-3H3
CH$LINK: INCHIKEY AIDHEBLAMCYZRU-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$SPLASH: splash10-000x-9600000000-0f4c61b474acfb1cf00c
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  18 1.11 11
  27 12.76 128
  28 1.46 15
  29 2.98 30
  39 7.99 80
  40 1.37 14
  41 17.82 178
  42 2.57 26
  43 43.07 431
  44 1.22 12
  51 3.46 35
  52 1.2 12
  53 1.69 17
  55 2.01 20
  56 3.9 39
  59 2.63 26
  60 1.15 12
  63 1.93 19
  65 11.65 117
  68 2.19 22
  71 41.97 420
  72 1.62 16
  77 5.27 53
  78 2.93 29
  79 2.82 28
  89 2.21 22
  90 1.15 12
  91 84.82 848
  92 5.73 57
  103 2.73 27
  104 3.36 34
  105 9.45 95
  115 1.82 18
  116 1.36 14
  117 2.37 24
  129 2.03 20
  131 99.99 999
  132 11.46 115
  145 2.31 23
  146 51.69 517
  147 12.03 120
  148 1.09 11
//