ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008903
RECORD_TITLE: UNDECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: COMPTOX DTXSID9021689
CH$LINK: INCHIKEY RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:14257

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-052f-9000000000-f52ef10aa893b46474af
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 19 190
  28 3.7 37
  29 32.9 329
  30 0.1 1
  39 11.1 111
  40 2.5 25
  41 48.2 482
  42 1.55 16
  43 99.99 999
  44 3.7 37
  53 2.6 26
  54 0.2 2
  55 16.7 167
  56 17.4 174
  57 99.1 991
  58 0.41 4
  67 1.2 12
  69 4.9 49
  70 12.4 124
  71 4.31 43
  72 2.5 25
  83 2 20
  84 9 90
  85 2.56 26
  86 1.8 18
  98 6.9 69
  99 7.4 74
  112 0.31 3
  113 6.7 67
  126 1.4 14
  127 3.9 39
  156 1.34 13
  157 1.8 18
//