MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012178

ETHYLCYCLOPENTANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012178
RECORD_TITLE: ETHYLCYCLOPENTANE; 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$NAME: ETHYLCYCLOPENTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CCC(C1)CCC1
CH$IUPAC: InChI=1S/C7H14/c1-2-7-5-3-4-6-7/h7H,2-6H2,1H3
CH$LINK: CAS 1640-89-7
CH$LINK: INCHIKEY IFTRQJLVEBNKJK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5075109

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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$SPLASH: splash10-0002-9000000000-cefe6292a7fbcad69383
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  55 3.62 36
  56 2.18 22
  57 49.87 499
  58 2.22 22
  59 4.23 42
  68 1.24 12
  69 5.13 51
  71 5.35 54
  75 1.97 20
  83 17.98 180
  84 1.22 12
  85 1.59 16
  97 99.99 999
  98 15.36 154
  99 21.9 219
  100 1.76 18
//