ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010130
RECORD_TITLE: 1,3-DIPROPYNOXY-4-CHLORO-6-CYANOBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 1,3-DIPROPYNOXY-4-CHLORO-6-CYANOBENZENE
CH$NAME: 2,4-DIPROPYNOXY-5-CHLORO-BENZONITRIL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H8ClNO2
CH$EXACT_MASS: 245.02436
CH$SMILES: CC#COc(c1)c(C#N)cc(Cl)c(OC#CC)1
CH$IUPAC: InChI=1S/C13H8ClNO2/c1-3-5-16-12-8-13(17-6-4-2)11(14)7-10(12)9-15/h7-8H,1-2H3
CH$LINK: INCHIKEY YWRHZTAJZBSLDN-UHFFFAOYSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0a4i-0190000000-e4e85a62f006f07e05f8
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  39 6 60
  63 4 40
  87 2 20
  88 0.4 4
  114 6 60
  115 2 20
  123 8 80
  125 0.2 2
  143 2 20
  150 6 60
  152 2 20
  206 99.99 999
  207 13 130
  208 32 320
  209 4 40
  210 0.4 4
  216 2 20
  244 3 30
  245 31 310
  246 0.5 5
  247 10 100
//
