MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006454

4-HEPTANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006454
RECORD_TITLE: 4-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$NAME: 4-HEPTANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄O
CH$EXACT_MASS: 114.10447
CH$SMILES: CCCC(=O)CCC
CH$IUPAC: InChI=1S/C7H14O/c1-3-5-7(8)6-4-2/h3-6H2,1-2H3
CH$LINK: INCHIKEY HCFAJYNVAYBARA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6047650

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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$SPLASH: splash10-006x-9000000000-781083206e97b4ff2795
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.67 17
  26 1.53 15
  27 25.82 258
  28 1.57 16
  29 4.19 42
  39 13.19 132
  40 1.18 12
  41 25.75 258
  42 6.76 68
  43 99.99 999
  44 3.88 39
  55 2.3 23
  57 1.26 13
  58 6.47 65
  71 82.52 825
  72 3.74 37
  99 1.54 15
  114 14.39 144
  115 1.12 11
//