ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009120
RECORD_TITLE: TRICOSANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: TRICOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₈
CH$EXACT_MASS: 324.37560
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C23H48/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
CH$LINK: CAS 638-67-5
CH$LINK: INCHIKEY FIGVVZUWCLSUEI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7047699

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$SPLASH: splash10-0a4l-9000000000-b55658471f93057544d6
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  27 5.96 60
  29 17.99 180
  39 2.42 24
  41 32.66 327
  42 9.52 95
  43 91.28 913
  44 1.99 20
  53 1.29 13
  54 2.13 21
  55 26.13 261
  56 14.33 143
  57 99.99 999
  58 3.33 33
  67 1.79 18
  68 1.98 20
  69 13.86 139
  70 10.44 104
  71 58.87 589
  72 2.76 28
  82 1.53 15
  83 8.68 87
  84 5.23 52
  85 36.96 370
  86 1.71 17
  97 5.72 57
  98 3 30
  99 10.68 107
  111 1.88 19
  112 2.23 22
  113 5.74 57
  126 1.51 15
  127 3.41 34
  140 1.5 15
  141 2.4 24
  154 1.16 12
  155 1.82 18
  169 1.6 16
  183 1.09 11
  197 1.04 10
//