ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012157
RECORD_TITLE: 3-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$NAME: 3-METHYLNONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₂₂
CH$EXACT_MASS: 142.17215
CH$SMILES: CCCCCCC(C)CC
CH$IUPAC: InChI=1S/C10H22/c1-4-6-7-8-9-10(3)5-2/h10H,4-9H2,1-3H3
CH$LINK: CAS 5911-04-6
CH$LINK: COMPTOX DTXSID70863649
CH$LINK: INCHIKEY PLZDDPSCZHRBOY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:22202

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$SPLASH: splash10-0006-5900000000-5690ce7587a375027511
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  57 25.23 252
  58 1.18 12
  71 36.51 365
  72 1.97 20
  85 8.81 88
  99 9.69 97
  112 2.03 20
  113 7.18 72
  127 15.41 154
  128 1.49 15
  141 99.99 999
  142 11.88 119
//