ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000681
RECORD_TITLE: 4'-NITROFLAVANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKATORI M, DEPT. OF CHEMISTRY, FAC. OF EDUC., FUKUSHIMA UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: 4'-NITROFLAVANONE
CH$NAME: 2-(4-NITROPHENYL)CHROMAN-4-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H11NO4
CH$EXACT_MASS: 269.06881
CH$SMILES: [O-1][N+1](=O)c(c3)ccc(c3)C(C1)Oc(c2)c(ccc2)C(=O)1
CH$IUPAC: InChI=1S/C15H11NO4/c17-13-9-15(20-14-4-2-1-3-12(13)14)10-5-7-11(8-6-10)16(18)19/h1-8,15H,9H2
CH$LINK: INCHIKEY TULCIAFZYJZBAM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00457015
AC$INSTRUMENT: JEOL JMS-06-H
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0uki-9800000000-275694713c307c72b791
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  30 7.5 75
  32 3.7 37
  37 4.4 44
  38 0.83 8
  39 28.7 287
  40 2.1 21
  41 2.7 27
  42 0.14 1
  43 20.8 208
  44 2 20
  45 1 10
  46 0.12 1
  49 1.8 18
  50 23.8 238
  51 45.8 458
  52 0.36 4
  53 6.9 69
  54 1.5 15
  55 1.9 19
  57 0.17 2
  60.5 1.3 13
  61 2.5 25
  62 5 50
  63 1.16 12
  64 6.4 64
  65 37 370
  66 4.4 44
  69 0.25 3
  73 1.9 19
  74 10.1 101
  75 9 90
  76 1.34 13
  77 42.1 421
  78 4.6 46
  79 1.3 13
  89 0.21 2
  90 1.9 19
  91 1.7 17
  92 9.6 96
  93 2.5 25
  94 3.4 34
  102 1.1 11
  103 1 10
  104 1.04 10
  105 13.9 139
  106 2.5 25
  107 1.1 11
  118 0.14 1
  119 3.1 31
  120 8.1 81
  121 99.99 999
  122 0.84 8
  135 1.2 12
  136 50.5 505
  137 4.4 44
  147 0.83 8
  149 8.3 83
  150 37 370
  151 41.2 412
  152 0.38 4
  268 2.2 22
  269 4.3 43
//
