ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012194
RECORD_TITLE: CYCLODODECANE; 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$NAME: CYCLODODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄
CH$EXACT_MASS: 168.18780
CH$SMILES: C(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H24/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-12H2
CH$LINK: CAS 294-62-2
CH$LINK: COMPTOX DTXSID9021552
CH$LINK: INCHIKEY DDTBPAQBQHZRDW-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9268

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$SPLASH: splash10-014i-5900000000-77e780c8a006443fff66
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57 16.21 162
  69 1.2 12
  71 20.12 201
  72 1.04 10
  83 11.13 111
  85 10.13 101
  97 38.03 380
  98 3.28 33
  99 16.28 163
  100 1.26 13
  111 27.72 277
  112 2.48 25
  113 13.79 138
  114 1.38 14
  125 6.78 68
  127 7.1 71
  165 2.3 23
  167 99.99 999
  168 15.17 152
  169 12.48 125
  170 1.59 16
//