ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007508
RECORD_TITLE: 3-METHYL-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$NAME: 3-METHYL-4-NITROPHENYL PENTAFLUOROBENZYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H8F5NO3
CH$EXACT_MASS: 333.04243
CH$SMILES: [O-1][N+1](=O)c(c2)c(C)cc(c2)OCc(c(F)1)c(F)c(F)c(F)c(F)1
CH$IUPAC: InChI=1S/C14H8F5NO3/c1-6-4-7(2-3-9(6)20(21)22)23-5-8-10(15)12(17)14(19)13(18)11(8)16/h2-4H,5H2,1H3
CH$LINK: INCHIKEY WDUOVUNTQFSXIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70236071
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$SPLASH: splash10-001i-1900000000-6b34426b76a4faaebc7b
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  51 6.4 64
  52 5.3 53
  53 0.9 9
  62 0.11 1
  63 2.3 23
  69 1.1 11
  75 1.3 13
  77 0.31 3
  78 2.4 24
  80 0.9 9
  81 1.4 14
  89 0.13 1
  93 1.3 13
  131 1.6 16
  136 1.3 13
  152 0.03 0
  155 1.3 13
  161 3.6 36
  162 1.3 13
  181 99.99 999
  182 10.7 107
  262 1.1 11
  316 1.3 13
  333 2.24 22
  334 3.8 38
//
