ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007020
RECORD_TITLE: TRIDECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a4l-9000000000-31719e7c569e2c37eeac
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  17 1.39 14
  27 20.01 200
  29 36.47 365
  31 32.41 324
  39 13.88 139
  40 1.36 14
  41 84.8 848
  42 25.74 257
  43 99.99 999
  44 5.78 58
  45 1.75 18
  53 5.7 57
  54 10.6 106
  55 96.79 968
  56 61.27 613
  57 64.2 642
  58 2.47 25
  67 11.53 115
  68 27.96 280
  69 75.12 751
  70 54.53 545
  71 19.58 196
  81 3.66 37
  82 26.06 261
  83 63.32 633
  84 31.47 315
  85 9.98 100
  95 1.25 13
  96 6.25 63
  97 37.3 373
  98 16.61 166
  110 2.95 30
  111 16.87 169
  112 9.99 100
  125 6.73 67
  126 5.3 53
  139 1.07 11
  154 6.94 69
//