ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008103
RECORD_TITLE: 12-METHYL-1-TRIDECANOL; 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$NAME: 12-METHYL-1-TRIDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O
CH$EXACT_MASS: 214.22967
CH$SMILES: OCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C14H30O/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3
CH$LINK: INCHIKEY ZXUOFCUEFQCKKH-UHFFFAOYSA-N
AC$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: splash10-0a4i-9100000000-334e4899bf9873068129
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  15 0.22 2
  27 3.02 30
  29 7.59 76
  31 5.46 55
  35 0.05 1
  36 0.08 1
  39 2.16 22
  41 32.15 322
  42 9.89 99
  43 64.16 642
  45 1.17 12
  48 0.32 3
  49 0.08 1
  50 0.48 5
  53 1.76 18
  54 6.24 62
  55 66.46 665
  56 99.99 999
  57 81.04 810
  58 4.52 45
  67 8.45 85
  68 25.14 251
  69 84.63 846
  70 38.2 382
  71 18.53 185
  72 1.53 15
  73 0.71 7
  79 1.26 13
  81 5.5 55
  82 23.82 238
  83 40.13 401
  84 24.77 248
  86 1.12 11
  87 0.4 4
  95 2.2 22
  96 6.04 60
  97 38.83 388
  98 11.02 110
  99 2.35 24
  109 0.99 10
  110 4.23 42
  111 21.86 219
  112 13.22 132
  113 1.63 16
  118 0.13 1
  124 1.69 17
  125 7.69 77
  126 4.76 48
  138 1.21 12
  139 1.79 18
  140 13.59 136
  141 1.71 17
  152 1.41 14
  153 4.01 40
  154 1.72 17
  168 10.26 103
  169 2 20
  181 1.46 15
  196 3.11 31
//
