ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012158
RECORD_TITLE: 4-METHYLNONANE; 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$NAME: 4-METHYLNONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCC(C)CCC
CH$IUPAC: InChI=1S/C10H22/c1-4-6-7-9-10(3)8-5-2/h10H,4-9H2,1-3H3
CH$LINK: CAS 17301-94-9
CH$LINK: INCHIKEY IALRSQMWHFKJJA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60864766

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$SPLASH: splash10-0006-7900000000-39ae6ee8201a6ca56ea5
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  57 23.14 231
  58 1.23 12
  71 36.89 369
  72 2.09 21
  85 29.36 294
  86 2.09 21
  98 1.94 19
  99 14.52 145
  113 2.24 22
  127 13.13 131
  128 1.13 11
  141 99.99 999
  142 12.16 122
//