ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009920
RECORD_TITLE: 6,10,14-TRIMETHYL-PENTADECAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 6,10,14-TRIMETHYL-PENTADECAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₆O
CH$EXACT_MASS: 268.27662
CH$SMILES: CC(C)CCCC(C)CCCC(C)CCCC(C)=O
CH$IUPAC: InChI=1S/C18H36O/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19/h15-17H,6-14H2,1-5H3
CH$LINK: INCHIKEY WHWDWIHXSPCOKZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862063

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4l-9200000000-f2203c7f88d3a1f991cf
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 3.3 33
  29 7.8 78
  39 2.6 26
  41 2.36 24
  42 5.2 52
  43 96.6 966
  44 2.6 26
  55 3.1 31
  56 14.7 147
  57 44.1 441
  58 99.99 999
  59 4.64 46
  67 4.8 48
  68 7.2 72
  69 28.1 281
  70 1.55 16
  71 60.5 605
  72 4.8 48
  81 15.2 152
  82 1.21 12
  83 19.5 195
  84 6.7 67
  85 34.5 345
  86 0.33 3
  95 25.9 259
  96 11.6 116
  97 12.1 121
  98 0.31 3
  99 5.5 55
  109 27.8 278
  110 20.3 203
  111 1.12 11
  112 3.4 34
  113 11.2 112
  123 14.1 141
  124 1.9 19
  125 10.2 102
  126 8.8 88
  127 3.6 36
  137 0.81 8
  138 7.1 71
  139 2.1 21
  140 5.9 59
  141 0.19 2
  151 2.2 22
  152 2.1 21
  165 8.6 86
  179 0.64 6
  180 2.2 22
  194 2.9 29
  208 1.7 17
  210 0.74 7
  225 2.4 24
  235 1.6 16
  250 19.3 193
  253 0.19 2
  268 1.7 17
//