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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008548

1,1-DIMETHYL-2-PROPENYL ACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008548
RECORD_TITLE: 1,1-DIMETHYL-2-PROPENYL ACETATE; 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$NAME: 1,1-DIMETHYL-2-PROPENYL ACETATE
CH$NAME: DIMETHYL VINYL CARBINYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H12O2
CH$EXACT_MASS: 128.08373
CH$SMILES: C=CC(C)(C)OC(C)=O
CH$IUPAC: InChI=1S/C7H12O2/c1-5-7(3,4)9-6(2)8/h5H,1H2,2-4H3
CH$LINK: INCHIKEY ZJVWGOLNVKJRDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20179262

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$SPLASH: splash10-00kf-9000000000-d4f70bf5df428344a151
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  15 10.06 101
  18 1.37 14
  26 1.79 18
  27 15.57 156
  28 1.3 13
  29 2.84 28
  31 1.31 13
  38 1.17 12
  39 14.74 147
  40 3.41 34
  41 47.03 470
  42 5.54 55
  43 99.99 999
  44 2.14 21
  45 1.02 10
  50 1.34 13
  51 2.33 23
  53 9.75 98
  54 1.5 15
  55 3.17 32
  57 2.34 23
  59 4.85 49
  67 10.85 109
  68 28.72 287
  69 33.08 331
  70 1.67 17
  71 35.67 357
  72 1.3 13
  85 11.75 118
  113 2.75 28
//

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