ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006877
RECORD_TITLE: UNDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE 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$LINK: INCHIKEY RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021689

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-052f-9000000000-f805eba4b3f7bc1e0ad7
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 20.5 205
  28 3.82 38
  29 33.83 338
  39 9.44 94
  40 1.28 13
  41 45.96 460
  42 13.32 133
  43 99.99 999
  44 3.16 32
  53 2.24 22
  54 1.49 15
  55 15.86 159
  56 15.52 155
  57 94.31 943
  58 4.39 44
  69 2.97 30
  70 10.24 102
  71 41.55 416
  72 1.5 15
  83 1.1 11
  84 5.56 56
  85 20.14 201
  98 3.48 35
  99 3.22 32
  112 2.02 20
  113 2.3 23
  127 1.6 16
  156 3.38 34
//