ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012326
RECORD_TITLE: NONADECYLBENZENE; 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$NAME: NONADECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₅H₄₄
CH$EXACT_MASS: 344.34430
CH$SMILES: CCCCCCCCCCCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3
CH$LINK: CAS 29136-19-4
CH$LINK: INCHIKEY SHWJJBRTHGGZBE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10880214

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$SPLASH: splash10-0007-0009000000-b48eac7a7bea099a934e
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  57 2.85 29
  71 2.54 25
  85 2.13 21
  91 5.14 51
  92 2.86 29
  99 1.42 14
  105 2.48 25
  113 1.64 16
  119 1.58 16
  133 2.02 20
  147 1.9 19
  161 1.53 15
  169 1.06 11
  175 1.93 19
  189 1.39 14
  197 1.02 10
  203 1.61 16
  217 1.31 13
  225 1.05 11
  231 1.53 15
  245 1.28 13
  259 1.62 16
  267 3.68 37
  273 1.01 10
  287 1.85 19
  302 1.01 10
  315 2.05 21
  329 6.82 68
  330 1.51 15
  343 99.99 999
  344 35.99 360
  345 70.67 707
  346 17.69 177
  347 2.25 23
  373 22.25 223
  374 5.45 55
  385 3.67 37
  386 1.29 13
//