ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001645
RECORD_TITLE: N-HEXADECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: N-HEXADECANE
CH$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$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-052f-9000000000-8393983fcf59dd400873
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  40 5.06 51
  41 62.22 622
  42 26.78 268
  43 99.99 999
  44 4.15 42
  53 2.69 27
  54 7.59 76
  55 26.57 266
  56 39.12 391
  57 92.85 929
  58 5.48 55
  68 2.11 21
  72 2.02 20
  82 1.36 14
  83 4.76 48
  84 7.5 75
  85 38.52 385
  86 6.25 63
  97 3.49 35
  98 5.36 54
  99 12.4 124
  100 1.22 12
  111 1.63 16
  112 4.06 41
  113 7.31 73
  126 3.28 33
  127 5.11 51
  140 2.88 29
  141 3.92 39
  154 2.17 22
  155 3.2 32
  168 1.62 16
  169 2.57 26
  183 1.56 16
  225 2.49 25
  226 6.32 63
  227 1.23 12
//