ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009122
RECORD_TITLE: PENTACOSANE; 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$NAME: PENTACOSANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₅₂
CH$EXACT_MASS: 352.40690
CH$SMILES: CCCCCCCCCCCCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
CH$LINK: CAS 629-99-2
CH$LINK: INCHIKEY YKNWIILGEFFOPE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060882

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$SPLASH: splash10-0a4l-9000000000-ee53fcca7e980fdff3c3
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  27 3.97 40
  29 14.5 145
  39 2.38 24
  41 31.69 317
  42 9.54 95
  43 88.68 887
  44 1.27 13
  53 1.03 10
  54 2.28 23
  55 23.94 239
  56 12.09 121
  57 99.99 999
  58 2.57 26
  67 2.15 22
  68 2.32 23
  69 13.16 132
  70 10.15 102
  71 56.48 565
  72 2.16 22
  82 2.04 20
  83 10.07 101
  84 4.45 45
  85 31.77 318
  86 1.28 13
  97 4.69 47
  98 2.61 26
  99 7.15 72
  111 1.72 17
  112 1.62 16
  113 3.67 37
  126 1.71 17
  127 2.39 24
  140 1.02 10
  141 1.77 18
  155 1.69 17
  169 1.43 14
//