MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006452

2-HEPTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006452
RECORD_TITLE: 2-HEPTANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 2-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCCCC(C)=O
CH$IUPAC: InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3
CH$LINK: INCHIKEY CATSNJVOTSVZJV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5021916

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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$SPLASH: splash10-052f-9000000000-67e38b971af9b3c9eab2
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  15 4.64 46
  26 1.06 11
  27 12.69 127
  29 9.93 99
  39 9.39 94
  41 11.87 119
  42 5.61 56
  43 99.99 999
  44 2.51 25
  55 4.46 45
  57 1.13 11
  58 62.29 623
  59 9.76 98
  71 13.24 132
  72 1.69 17
  85 1.47 15
  99 2.61 26
  114 5.19 52
//