ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012190
RECORD_TITLE: TRANS-DECALIN; 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$NAME: TRANS-DECALIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈
CH$EXACT_MASS: 138.14085
CH$SMILES: [H]C(C2)(C1)C([H])(CCC2)CCC1
CH$IUPAC: InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-
CH$LINK: CAS 493-02-7
CH$LINK: INCHIKEY NNBZCPXTIHJBJL-MGCOHNPYSA-N
CH$LINK: COMPTOX DTXSID90883405

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$SPLASH: splash10-000i-0900000000-c551a21e3fec2ec56f13
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  57 1.31 13
  83 6.7 67
  97 2.59 26
  135 1.92 19
  136 1.69 17
  137 99.99 999
  138 14.6 146
  139 6.4 64
//