ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012320
RECORD_TITLE: 3-PHENYLTRIDECANE; 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$NAME: 3-PHENYLTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCCCCC(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-3-5-6-7-8-9-10-12-15-18(4-2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3
CH$LINK: CAS 4534-52-5
CH$LINK: INCHIKEY VZZMNLVGDGMQQV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10875201

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$SPLASH: splash10-001i-0940000000-6ea834abde6e2bf50a32
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  57 1.8 18
  71 1.28 13
  85 1.62 16
  99 2.04 20
  105 2.09 21
  107 1.27 13
  113 2.53 25
  119 14.04 140
  120 1.41 14
  127 2.31 23
  133 2.61 26
  141 1.38 14
  147 1.89 19
  161 2.24 22
  175 2.26 23
  183 99.99 999
  184 14.45 145
  185 1.05 11
  189 3.47 35
  203 2.2 22
  231 4.55 46
  245 7.08 71
  246 1.49 15
  259 42.85 429
  260 13.37 134
  261 2.05 21
//