MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000762

3,7-BIS(BROMOMETHYL)TROPOLONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000762
RECORD_TITLE: 3,7-BIS(BROMOMETHYL)TROPOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 3,7-BIS(BROMOMETHYL)TROPOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₈Br₂O₂
CH$EXACT_MASS: 305.88910
CH$SMILES: BrCC(C=1)=C(O)C(=O)C(CBr)=CC1
CH$IUPAC: InChI=1S/C9H8Br2O2/c10-4-6-2-1-3-7(5-11)9(13)8(6)12/h1-3H,4-5H2,(H,12,13)
CH$LINK: INCHIKEY OPQWVLFKSUMZJT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80516336

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AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-4920000000-80625f04a896e85308ac
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65 17.5 175
  79 3.5 35
  80 8.5 85
  81 0.3 3
  82 9 90
  89 4.5 45
  90 4 40
  91 5.8 58
  92 6 60
  119 99.99 999
  120 9 90
  148 4.7 47
  149 7 70
  198 5 50
  200 4 40
  227 2.1 21
  228 3.5 35
  229 21.5 215
  230 2 20
  306 0.35 4
  308 7 70
  310 3 30
//