ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010982
RECORD_TITLE: 2-(HYDROXY(4-NITROPHENYL)METHYL)TROPONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKESHITA H, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-(HYDROXY(4-NITROPHENYL)METHYL)TROPONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₁NO₄
CH$EXACT_MASS: 257.06881
CH$SMILES: [O-1][N+1](=O)c(c2)ccc(c2)C(O)C(=C1)C(=O)C=CC=C1
CH$IUPAC: InChI=1S/C14H11NO4/c16-13-5-3-1-2-4-12(13)14(17)10-6-8-11(9-7-10)15(18)19/h1-9,14,17H
CH$LINK: INCHIKEY HQAWDVIRRDZIJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90544948

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$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$SPLASH: splash10-0kdi-9710000000-52078dbe6c6e2594afd8
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  40 26.84 268
  50 35.45 355
  51 69.03 690
  52 19.35 194
  53 7.7 77
  62 8.01 80
  63 22.43 224
  64 6.62 66
  65 9.67 97
  74 10.46 105
  75 16.55 166
  76 30.72 307
  77 99.99 999
  78 37.13 371
  79 31.32 313
  89 16.39 164
  90 7.47 75
  92 8.34 83
  104 15.09 151
  105 49.62 496
  106 13.52 135
  107 45.33 453
  115 12.45 125
  135 9.24 92
  139 10.58 106
  150 27.3 273
  151 10.11 101
  152 17.84 178
  153 13.07 131
  154 4.76 48
  155 3.79 38
  163 10.49 105
  164 23.12 231
  165 67.28 673
  166 10.68 107
  181 10.25 103
  182 6.59 66
  192 9.22 92
  193 11.13 111
  194 3.69 37
  210 8.59 86
  211 5.42 54
  228 3.41 34
  257 48.87 489
  258 8.55 86
//