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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012155

DECANE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012155
RECORD_TITLE: DECANE; 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

CH$NAME: DECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H22
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCCCCCC
CH$IUPAC: InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: CAS 124-18-5
CH$LINK: INCHIKEY DIOQZVSQGTUSAI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024913

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

PK$SPLASH: splash10-0006-9800000000-315facd0cd21bf8a5979
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  57 30.79 308
  58 1.39 14
  71 43.57 436
  72 2.6 26
  85 37.06 371
  86 2.57 26
  99 12.3 123
  113 2.04 20
  127 5.3 53
  141 99.99 999
  142 14.29 143
//

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