ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008224
RECORD_TITLE: TRIDECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: TRIDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈O
CH$EXACT_MASS: 200.21402
CH$SMILES: CCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
CH$LINK: INCHIKEY XFRVVPUIAFSTFO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021947

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05o0-9100000000-89139b9e728accd0f92f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  41 39.34 393
  42 27.21 272
  43 67.54 675
  44 6.23 62
  54 6.88 69
  55 89.51 895
  56 81.31 813
  58 6.56 66
  59 3.28 33
  66 13.44 134
  67 42.29 423
  69 95.41 954
  70 94.43 944
  71 34.42 344
  74 5.25 53
  78 3.28 33
  80 3.28 33
  81 55.74 557
  83 99.99 999
  84 61.64 616
  85 19.34 193
  96 18.03 180
  97 53.44 534
  98 27.87 279
  99 7.87 79
  104 3.28 33
  106 2.62 26
  108 15.74 157
  110 4.92 49
  111 30.49 305
  112 18.03 180
  114 5.25 53
  119 2.62 26
  123 0.66 7
  125 12.79 128
  126 9.18 92
  127 4.59 46
  128 4.59 46
  134 6.23 62
  135 3.61 36
  140 6.23 62
  144 1.64 16
  145 2.95 30
  154 11.8 118
  165 3.61 36
  166 3.61 36
  182 6.56 66
//