ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012325
RECORD_TITLE: HEPTADECYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTADECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₀
CH$EXACT_MASS: 316.31300
CH$SMILES: CCCCCCCCCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C23H40/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23-21-18-16-19-22-23/h16,18-19,21-22H,2-15,17,20H2,1H3
CH$LINK: CAS 14752-75-1
CH$LINK: INCHIKEY ZMPPFNHWXMJARX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9065815

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-014i-0009000000-d5224e159586f4e3fd38
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  57 2.74 27
  71 2.87 29
  85 2.81 28
  91 6.1 61
  92 3.42 34
  99 1.56 16
  105 2.91 29
  113 1.54 15
  119 2.25 23
  127 1.31 13
  133 2.72 27
  141 1.21 12
  147 2.58 26
  155 1.23 12
  161 2.61 26
  169 1.42 14
  175 2.32 23
  183 1.08 11
  189 2.27 23
  203 1.93 19
  217 1.89 19
  231 1.87 19
  239 5.32 53
  245 1.26 13
  259 1.79 18
  273 1.85 19
  287 2.43 24
  301 7.56 76
  302 1.61 16
  315 99.99 999
  316 36.66 367
  317 79.19 792
  318 17.96 180
  319 2.18 22
  345 26.04 260
  346 6.66 67
  357 5.32 53
  358 1.33 13
//