MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006946

2-ACETYLFURAN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006946
RECORD_TITLE: 2-ACETYLFURAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: 2-ACETYLFURAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆O₂
CH$EXACT_MASS: 110.03678
CH$SMILES: [H]c(o1)c([H])c([H])c1C(C)=O
CH$IUPAC: InChI=1S/C6H6O2/c1-5(7)6-3-2-4-8-6/h2-4H,1H3
CH$LINK: INCHIKEY IEMMBWWQXVXBEU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0051601

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9100000000-626116be3c33a62f5993
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  14 1.51 15
  15 6.34 63
  26 1.79 18
  27 4.16 42
  29 4.13 41
  37 5.72 57
  38 10.38 104
  39 29.84 298
  40 3.08 31
  41 1.5 15
  42 3.77 38
  43 18.57 186
  50 3.37 34
  51 4.08 41
  52 1.03 10
  53 3.75 38
  67 4.08 41
  68 3.08 31
  95 99.99 999
  96 5.74 57
  110 37.53 375
  111 2.79 28
//