MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010781

PHTHALIDE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010781
RECORD_TITLE: PHTHALIDE; 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$NAME: PHTHALIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₆O₂
CH$EXACT_MASS: 134.03678
CH$SMILES: O=C(O1)c(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2
CH$LINK: COMPTOX DTXSID0052594
CH$LINK: INCHIKEY WNZQDUSMALZDQF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6885

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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$SPLASH: splash10-0a59-5900000000-cb40a9fce63b687c154c
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44 1.23 12
  49 1.11 11
  50 9.63 96
  51 12.1 121
  52 2.98 30
  61 1.08 11
  62 1.89 19
  63 3.17 32
  66 3.22 32
  74 3.5 35
  75 2.99 30
  76 9.66 97
  77 40.66 407
  78 3.7 37
  89 1.6 16
  104 2.85 29
  105 99.99 999
  106 8.03 80
  133 15.05 151
  134 44.25 443
  135 4.03 40
//