ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007690
RECORD_TITLE: HEXADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS 544-76-3
CH$LINK: INCHIKEY DCAYPVUWAIABOU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0027195

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-0a4i-9000000000-b0449813985ea9c60d4f
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
  40 2.3 23
  41 45 450
  42 11.7 117
  43 9.72 97
  44 3.9 39
  53 1.5 15
  54 1.7 17
  55 1.8 18
  56 13.7 137
  57 99.99 999
  58 4.5 45
  67 0.13 1
  68 1.2 12
  69 6.9 69
  70 8.6 86
  71 5.21 52
  72 2.9 29
  82 1.2 12
  83 3.6 36
  84 0.44 4
  85 28.6 286
  86 1.9 19
  97 2.4 24
  98 0.28 3
  99 7 70
  111 0.9 9
  112 1.8 18
  113 0.33 3
  126 1.2 12
  127 1.8 18
  140 0.8 8
  141 0.12 1
  154 0.5 5
  155 0.8 8
  168 0.3 3
  169 0.06 1
  182 0.1 1
  183 0.3 3
  196 0.1 1
  197 0.01 0
  226 0.7 7
  227 0.1 1
//