ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012156
RECORD_TITLE: 2-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$NAME: 2-METHYLNONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCCCC(C)C
CH$IUPAC: InChI=1S/C10H22/c1-4-5-6-7-8-9-10(2)3/h10H,4-9H2,1-3H3
CH$LINK: CAS 871-83-0
CH$LINK: INCHIKEY SGVYKUFIHHTIFL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80873239

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$SPLASH: splash10-006x-9600000000-d649a562c99ae66231e6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 56.12 561
  58 2.5 25
  61 1.15 12
  71 70.94 709
  72 3.81 38
  85 51.15 512
  86 3.33 33
  98 2.99 30
  99 17.75 178
  113 1.63 16
  127 25.79 258
  128 2.53 25
  141 99.99 999
  142 12.54 125
//