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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010519

XANTHENE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010519
RECORD_TITLE: XANTHENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: XANTHENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O
CH$EXACT_MASS: 182.07316
CH$SMILES: c(c3)cc(C1)c(c3)Oc(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C13H10O/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-8H,9H2
CH$LINK: CAS 92-83-1
CH$LINK: INCHIKEY GJCOSYZMQJWQCA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1059070

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-001i-0900000000-657d8c5027c1e05a2b14
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  28 1.59 16
  39 0.9 9
  63 1.47 15
  76 1.84 18
  77 1.01 10
  91 1.25 13
  126 1.03 10
  127 1.53 15
  151 2.52 25
  152 10.02 100
  153 2.8 28
  180 1.04 10
  181 99.99 999
  182 61.3 613
  183 8.25 83
  184 1.27 13
//

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