ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007509
RECORD_TITLE: 4-NITROPHENYL PENTAFLUOROBENZYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 4-NITROPHENYL PENTAFLUOROBENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₆F₅NO₃
CH$EXACT_MASS: 319.02678
CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)OCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C13H6F5NO3/c14-9-8(10(15)12(17)13(18)11(9)16)5-22-7-3-1-6(2-4-7)19(20)21/h1-4H,5H2
CH$LINK: INCHIKEY ZBEFSXOWVLJJQM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10236070

AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-001i-3900000000-085d646b7576f5d9fc23
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  52 2.4 24
  53 0.9 9
  54 0.9 9
  61 0.14 1
  62 4 40
  63 12.6 126
  64 8.2 82
  65 0.16 2
  69 2.1 21
  74 1.9 19
  75 2.2 22
  76 0.16 2
  77 1.7 17
  80 1.2 12
  81 2.5 25
  92 0.14 1
  93 2.2 22
  99 1.7 17
  112 1.9 19
  117 0.16 2
  131 2.7 27
  143 1.6 16
  150 1.2 12
  155 0.19 2
  161 8.2 82
  162 1.7 17
  181 99.99 999
  182 0.94 9
  319 7.9 79
  320 1.1 11
//