ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008115
RECORD_TITLE: 10-METHYL-1-DODECANOL; 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$NAME: 10-METHYL-1-DODECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O
CH$EXACT_MASS: 200.21402
CH$SMILES: OCCCCCCCCCC(C)CC
CH$IUPAC: InChI=1S/C13H28O/c1-3-13(2)11-9-7-5-4-6-8-10-12-14/h13-14H,3-12H2,1-2H3
CH$LINK: INCHIKEY PVVKVEDVVCORDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70415268
AC$INSTRUMENT: JEOL JMS-HX-100
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 40 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0ab9-9100000000-ca42720f2eebcf6c0596
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  15 0.21 2
  31 6.59 66
  35 0.14 1
  36 0.05 1
  39 2.95 30
  41 39.03 390
  42 7.9 79
  43 42.6 426
  45 1.3 13
  49 0.42 4
  53 2.05 21
  54 6.14 61
  55 83.21 832
  56 45.85 459
  57 66.33 663
  58 3.95 40
  66 1.14 11
  67 8.12 81
  68 12.9 129
  69 83.24 832
  70 99.99 999
  71 44.69 447
  72 2.66 27
  73 0.75 8
  81 6.12 61
  82 15.42 154
  83 49.44 494
  84 18.79 188
  85 1.11 11
  95 4.14 41
  96 5.11 51
  97 72.48 725
  98 12.12 121
  99 2.25 23
  109 1.78 18
  110 2.5 25
  111 24.48 245
  112 8.28 83
  113 2.37 24
  123 1.56 16
  124 2.74 27
  125 20.96 210
  126 4.9 49
  129 0.7 7
  152 3.7 37
  153 11.66 117
  154 4.41 44
//
