ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007685
RECORD_TITLE: UNDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄
CH$EXACT_MASS: 156.18780
CH$SMILES: CCCCCCCCCCC
CH$IUPAC: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
CH$LINK: CAS 1120-21-4
CH$LINK: INCHIKEY RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021689

AC$INSTRUMENT: SHIMADZU QP-1000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-9000000000-531ffbd4e0c13e7c70a4
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  40 2.5 25
  41 51.1 511
  42 15.1 151
  43 99.99 999
  44 3.8 38
  53 1.7 17
  54 1.1 11
  55 1.05 11
  56 11.2 112
  57 61 610
  58 2.7 27
  67 0.05 1
  68 0.3 3
  69 2.7 27
  70 5.6 56
  71 2.03 20
  72 1.2 12
  73 1.7 17
  83 0.7 7
  84 0.33 3
  85 9.5 95
  86 1.1 11
  98 1.6 16
  99 0.13 1
  112 0.6 6
  113 0.8 8
  126 0.2 2
  127 0.04 0
  156 0.7 7
  157 0.1 1
//