MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007931

TROPOLONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007931
RECORD_TITLE: TROPOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

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CH$NAME: TROPOLONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆O₂
CH$EXACT_MASS: 122.03678
CH$SMILES: OC(=C1)C(=O)C=CC=C1
CH$IUPAC: InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
CH$LINK: INCHIKEY MDYOLVRUBBJPFM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8049416

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AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00di-9800000000-6817a9337f8a1bc1e793
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  51 8.93 89
  52 3.38 34
  53 5.66 57
  55 7.02 70
  56 0.86 9
  61 2.97 30
  62 1.3 13
  63 4.19 42
  64 1.66 17
  65 17.32 173
  66 18.72 187
  67 1.58 16
  74 1.44 14
  76 0.9 9
  77 1.27 13
  94 28.25 283
  95 0.98 10
  122 99.99 999
  123 5.73 57
  252 1.04 10
//