ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012184
RECORD_TITLE: TRANS-HYDRIADANE; 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$NAME: TRANS-HYDRIADANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆
CH$EXACT_MASS: 124.12520
CH$SMILES: [H]C(C2)(C1)C([H])(CCC2)CC1
CH$IUPAC: InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2/t8-,9-/m1/s1
CH$LINK: CAS 3296-50-2
CH$LINK: INCHIKEY BNRNAKTVFSZAFA-RKDXNWHRSA-N
CH$LINK: COMPTOX DTXSID20858747

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$SPLASH: splash10-00di-1900000000-f89f5810ed3ad3afbf33
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57 1.14 11
  69 7.35 74
  81 1.03 10
  83 4.61 46
  97 1.59 16
  123 99.99 999
  124 14.06 141
  125 23.21 232
  126 2.17 22
//