ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006867
RECORD_TITLE: 2-TRIDECANOL; 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$NAME: 2-TRIDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O
CH$EXACT_MASS: 200.21402
CH$SMILES: CCCCCCCCCCCC(C)O
CH$IUPAC: InChI=1S/C13H28O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13-14H,3-12H2,1-2H3
CH$LINK: INCHIKEY HKOLRKVMHVYNGG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40987402

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$SPLASH: splash10-0002-9000000000-3c1e9a925d9920150b99
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  27 5.27 53
  29 9.7 97
  39 2.61 26
  41 19.61 196
  42 5.19 52
  43 22.28 223
  44 5 50
  45 99.99 999
  46 1.72 17
  53 1.05 11
  54 1.34 13
  55 17.68 177
  56 9.27 93
  57 16.96 170
  58 2.26 23
  67 1.87 19
  68 1.22 12
  69 13.2 132
  70 8 80
  71 7.87 79
  82 1.98 20
  83 10.34 103
  84 5.13 51
  85 4.78 48
  96 1.35 14
  97 9.81 98
  98 4.01 40
  111 5.91 59
  112 2.19 22
  125 1.98 20
  126 1.21 12
  154 2.32 23
  182 1.77 18
  185 1.45 15
//