ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001621
RECORD_TITLE: 2-NITROFLUORENE; 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$NAME: 2-NITROFLUORENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₉NO₂
CH$EXACT_MASS: 211.06333
CH$SMILES: [O-1][N+1](=O)c(c3)cc(C1)c(c3)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7H2
CH$LINK: COMPTOX DTXSID2020971
CH$LINK: INCHIKEY XFOHWECQTFIEIX-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11831

AC$INSTRUMENT: VARIAN MAT-44
AC$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$SPLASH: splash10-03xr-2920000000-e163cd4eb030988dfa9e
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  43 1.1 11
  44 1.21 12
  50 3.75 38
  51 4.36 44
  62 4.3 43
  63 10.76 108
  65 1.54 15
  69 4.63 46
  70 3.2 32
  74 3.92 39
  75 3.86 39
  76 2.87 29
  77 1.43 14
  81 4.3 43
  82 6.29 63
  86 2.7 27
  87 4.3 43
  88 1.6 16
  89 3.47 35
  98 1.38 14
  111 1.15 12
  113 2.54 25
  115 7.17 72
  126 1.82 18
  127 1.49 15
  137 2.26 23
  138 1.76 18
  139 9.88 99
  140 1.21 12
  150 1.87 19
  151 4.36 44
  152 11.76 118
  153 8.39 84
  161 1.32 13
  162 5.41 54
  163 32.35 324
  164 48.59 486
  165 99.99 999
  166 14.24 142
  167 1.1 11
  181 6.12 61
  194 30.81 308
  195 5.9 59
  210 2.65 27
  211 73.49 735
  212 10.87 109
//