ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009554
RECORD_TITLE: HENEICOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: HENEICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₄
CH$EXACT_MASS: 296.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3
CH$LINK: CAS 629-94-7
CH$LINK: INCHIKEY FNAZRRHPUDJQCJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047097

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0a4l-9100000000-2bc507df938a82e990b1
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  14 1.04 10
  18 1.94 19
  26 1.47 15
  27 11.56 116
  28 10.51 105
  29 25.76 258
  32 1.94 19
  39 8.41 84
  40 2.14 21
  41 48.31 483
  42 14.14 141
  43 95.34 953
  44 3.31 33
  53 2.61 26
  54 3.48 35
  55 30.06 301
  56 17.04 170
  57 99.99 999
  58 4.5 45
  67 4.28 43
  68 3.06 31
  69 16.21 162
  70 12.39 124
  71 64.53 645
  72 3.66 37
  74 1.37 14
  81 2.08 21
  82 3.56 36
  83 11.71 117
  84 8.43 84
  85 47.67 477
  86 3.22 32
  87 1 10
  95 1.04 10
  96 1.95 20
  97 8.44 84
  98 5.84 58
  99 15.03 150
  100 1.21 12
  110 1.31 13
  111 4.51 45
  112 4.93 49
  113 10.72 107
  125 2.2 22
  126 4.07 41
  127 8.28 83
  140 3.59 36
  141 6.78 68
  154 2.95 30
  155 5.65 57
  168 2.57 26
  169 4.81 48
  182 2.17 22
  183 4.28 43
  196 1.74 17
  197 3.85 39
  210 1.42 14
  211 3.41 34
  224 1.14 11
  225 3.04 30
  239 2.76 28
  253 1.64 16
  296 10.09 101
  297 2.37 24
//