MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012210

TRANS-2-HEPTENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012210
RECORD_TITLE: TRANS-2-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$NAME: TRANS-2-HEPTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CCCCC=CC
CH$IUPAC: InChI=1S/C7H14/c1-3-5-7-6-4-2/h3,5H,4,6-7H2,1-2H3/b5-3+
CH$LINK: CAS 6443-92-1
CH$LINK: INCHIKEY OTTZHAVKAVGASB-HWKANZROSA-N
CH$LINK: COMPTOX DTXSID70881227

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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$SPLASH: splash10-0a4j-9000000000-6d5ec42d215af6371f9a
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  55 22.45 225
  56 1.02 10
  57 99.99 999
  58 4.1 41
  69 6.42 64
  71 10.86 109
  83 9.82 98
  85 7.08 71
  97 54.81 548
  98 9.08 91
  99 13.02 130
//