ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003616
RECORD_TITLE: CYCLODODECANONE; 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$NAME: CYCLODODECANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O
CH$EXACT_MASS: 182.16707
CH$SMILES: O=C(C1)CCCCCCCCCC1
CH$IUPAC: InChI=1S/C12H22O/c13-12-10-8-6-4-2-1-3-5-7-9-11-12/h1-11H2
CH$LINK: INCHIKEY SXVPOSFURRDKBO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3027322

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9100000000-6fb6aedc0ad900632feb
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  27 13 130
  29 20.1 201
  39 13.3 133
  40 0.32 3
  41 61.8 618
  42 25.1 251
  43 45.7 457
  44 0.31 3
  53 6.1 61
  54 12.7 127
  55 99.99 999
  56 3.27 33
  57 20.1 201
  58 97.4 974
  59 23.5 235
  66 0.22 2
  67 20.5 205
  68 19 190
  69 37.1 371
  70 2.47 25
  71 77.1 771
  72 7.5 75
  79 8.3 83
  80 0.81 8
  81 19 190
  82 34.9 349
  83 37.2 372
  84 2.56 26
  85 8 80
  86 3.1 31
  93 7.8 78
  94 0.53 5
  95 11.5 115
  96 12.9 129
  97 38 380
  98 4.73 47
  99 5.8 58
  100 3 30
  107 5.2 52
  108 0.35 4
  109 2.7 27
  110 2.6 26
  111 29.5 295
  112 1.28 13
  113 2.2 22
  114 2 20
  121 4.3 43
  122 0.65 7
  123 2.7 27
  124 10.6 106
  125 16.2 162
  126 0.5 5
  127 2.3 23
  135 5.8 58
  149 9.8 98
  184 1.37 14
  185 3 30
//