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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008557

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

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008557
RECORD_TITLE: 1,1-DIMETHYL-2-PHENYLETHYL PROPIONATE; 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$NAME: 1,1-DIMETHYL-2-PHENYLETHYL PROPIONATE
CH$NAME: DIMETHYL BENZYL CARBINYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O2
CH$EXACT_MASS: 206.13068
CH$SMILES: CCC(=O)OC(C)(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C13H18O2/c1-4-12(14)15-13(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
CH$LINK: INCHIKEY BLKIYRRGHOQSPP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90867326

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$SPLASH: splash10-0a4i-9200000000-26d966d0e8a9b49aecbd
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 5.42 54
  28 1.47 15
  29 22.31 223
  39 4 40
  41 2.2 22
  43 6.01 60
  51 2.15 22
  55 2.55 26
  57 99.99 999
  58 2.9 29
  59 3.05 31
  63 1.48 15
  65 6.16 62
  77 1.46 15
  78 1.02 10
  89 1.3 13
  91 25.24 252
  92 2.5 25
  105 1.47 15
  115 6.07 61
  116 1.02 10
  117 6.65 67
  132 23.19 232
  133 7.5 75
  148 2.1 21
//

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