ACCESSION: JP006884
RECORD_TITLE: HEXADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEXADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₃₄
CH$EXACT_MASS: 226.26605
CH$SMILES: CCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
CH$LINK: COMPTOX DTXSID0027195
CH$LINK: INCHIKEY DCAYPVUWAIABOU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11006

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$SPLASH: splash10-052f-9000000000-2ba63d5e4e2ba2027b77
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 10.46 105
  29 25.03 250
  39 5.63 56
  41 43.05 431
  42 12.33 123
  43 88.24 882
  44 2.68 27
  53 2.21 22
  54 2.26 23
  55 22.06 221
  56 15.16 152
  57 99.99 999
  58 4.23 42
  67 1.59 16
  68 1.4 14
  69 9.21 92
  70 10.48 105
  71 58.38 584
  72 3.53 35
  82 1.01 10
  83 4.74 47
  84 6.55 66
  85 36.03 360
  86 2.12 21
  97 3.06 31
  98 3.94 39
  99 8.22 82
  111 1.03 10
  112 2.59 26
  113 4.31 43
  126 1.71 17
  127 3.45 35
  140 1.41 14
  141 2.48 25
  155 1.59 16
  169 1.11 11
  226 2.85 29
//