MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012208

1-HEPTENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012208
RECORD_TITLE: 1-HEPTENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCCCC=C
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3H,1,4-7H2,2H3
CH$LINK: CAS 592-76-7
CH$LINK: INCHIKEY ZGEGCLOFRBLKSE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060466

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AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-0a4i-9000000000-0e452352089077aa373a
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  55 17.55 176
  56 3.42 34
  57 99.99 999
  58 4.23 42
  69 5.59 56
  70 1.28 13
  71 11.09 111
  83 12.3 123
  85 7.44 74
  97 31.6 316
  98 5.07 51
  99 8.57 86
//