ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006886
RECORD_TITLE: HEPTADECANE; 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$NAME: HEPTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₆
CH$EXACT_MASS: 240.28170
CH$SMILES: CCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY NDJKXXJCMXVBJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047061

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$SPLASH: splash10-052f-9000000000-4a1e4072537ab44135b1
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 9.28 93
  29 25.39 254
  39 5.37 54
  41 41.91 419
  42 10.99 110
  43 88.81 888
  44 2.96 30
  53 2.08 21
  54 2.55 26
  55 22.73 227
  56 14.91 149
  57 99.99 999
  58 4.2 42
  67 1.6 16
  68 1.37 14
  69 9.52 95
  70 10.37 104
  71 58.65 587
  72 2.91 29
  82 1.36 14
  83 5.28 53
  84 5.59 56
  85 36.02 360
  86 1.65 17
  97 2.82 28
  98 3.99 40
  99 8.93 89
  112 2.85 29
  113 4.83 48
  126 2.22 22
  127 3.56 36
  140 1.41 14
  141 3.03 30
  155 1.49 15
  169 1.57 16
  183 1.28 13
  240 2.73 27
//