ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008137
RECORD_TITLE: HEXACOSANE; 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$NAME: HEXACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₄
CH$EXACT_MASS: 366.42255
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C26H54/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
CH$LINK: INCHIKEY HMSWAIKSFDFLKN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060883

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$SPLASH: splash10-0a4l-9000000000-8ff648370df9ab839d2d
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  41 29.44 294
  42 9.33 93
  43 84.9 849
  53 1.11 11
  54 2.83 28
  55 25.75 258
  56 14.8 148
  57 99.99 999
  58 6.1 61
  67 3.5 35
  69 14.38 144
  70 9.34 93
  71 55.87 559
  72 4.58 46
  78 2.64 26
  82 2.91 29
  83 10.57 106
  84 6.92 69
  85 38.34 383
  86 3.49 35
  95 1.54 15
  96 1.06 11
  97 7.74 77
  98 5.21 52
  99 12.87 129
  111 3.81 38
  112 3.94 39
  113 8.72 87
  125 1.53 15
  126 2.66 27
  127 5.25 53
  140 1.86 19
  141 4.87 49
  154 1.72 17
  155 3.44 34
  168 1.1 11
  169 2.75 28
  183 2.06 21
  196 1.76 18
  197 2.5 25
  210 1.33 13
  211 2.15 22
  224 1.41 14
  239 1.32 13
  253 2.12 21
  267 1.7 17
  296 1.86 19
  366 1.95 20
//