ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005935
RECORD_TITLE: PENTADECANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PENTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₂
CH$EXACT_MASS: 212.25040
CH$SMILES: CCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY YCOZIPAWZNQLMR-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027268

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-00dr-9310000000-1f5cf48a39fb43b9e383
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  70 12.52 125
  71 99.99 999
  73 8.06 81
  82 2.42 24
  84 9.18 92
  85 75.21 752
  86 6.81 68
  94 5.16 52
  97 5.06 51
  98 7.78 78
  99 23.34 233
  100 2.47 25
  111 1.58 16
  112 7.43 74
  113 20.72 207
  114 2.45 25
  125 1.46 15
  126 6.95 70
  127 16.37 164
  128 1.3 13
  138 4.4 44
  139 1.99 20
  140 5.23 52
  141 13.45 135
  142 1.8 18
  154 3.1 31
  155 10.18 102
  168 2.23 22
  169 6.74 67
  183 3.57 36
  211 3.38 34
  212 24.35 244
  213 3.42 34
//