ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008134
RECORD_TITLE: DOCOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DOCOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₆
CH$EXACT_MASS: 310.35995
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
CH$LINK: INCHIKEY HOWGUJZVBDQJKV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047063

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$SPLASH: splash10-0abc-9100000000-aedb20bd247f19684b98
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  41 73.26 733
  42 18.13 181
  43 90.87 909
  44 5.84 58
  53 5.18 52
  54 5.58 56
  55 62.58 626
  56 32.03 320
  57 99.99 999
  58 10.92 109
  65 1.01 10
  67 6.65 67
  68 4.19 42
  69 26.83 268
  70 20.9 209
  71 95.63 956
  72 7.36 74
  82 3.97 40
  83 17.03 170
  84 14.66 147
  85 88.09 881
  86 6.26 63
  95 1.6 16
  96 2.02 20
  97 15.45 155
  98 6.53 65
  99 25.06 251
  100 2.71 27
  110 1.28 13
  111 5.21 52
  112 6.94 69
  113 15.75 158
  114 1.24 12
  125 3.49 35
  126 4.97 50
  127 12.16 122
  140 2.99 30
  141 8.01 80
  153 1.02 10
  154 4.25 43
  155 8.09 81
  168 2.44 24
  169 4.7 47
  181 1.12 11
  183 4.1 41
  196 1.3 13
  197 2.96 30
  211 1.66 17
  225 2.2 22
  239 3.28 33
  310 2.61 26
//