ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009123
RECORD_TITLE: HEXACOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 630-01-3
CH$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$SPLASH: splash10-0a4l-9000000000-e37e2b4f024d8a92f5a7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 5.14 51
  29 16.32 163
  39 2.04 20
  41 35.08 351
  42 8.5 85
  43 99.67 997
  44 1.25 13
  53 1.57 16
  54 2.18 22
  55 27.32 273
  56 18.26 183
  57 99.99 999
  58 4.08 41
  67 2.36 24
  68 2.51 25
  69 13.72 137
  70 7.9 79
  71 63.49 635
  72 3.01 30
  82 2.63 26
  83 8.14 81
  84 4.51 45
  85 37.61 376
  86 1.45 15
  96 1 10
  97 6.04 60
  98 3.32 33
  99 8.25 83
  111 2.06 21
  112 2.02 20
  113 4.88 49
  125 1.12 11
  126 1.2 12
  127 3.27 33
  140 1.41 14
  141 2.26 23
  155 1.37 14
  168 1.29 13
  169 1.75 18
  197 1.25 13
//