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MassBank Record: JP003117

HALFORDIN (14-CD3); EI-B; MS

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

ACCESSION: JP003117
RECORD_TITLE: HALFORDIN (14-CD3); EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKAYAMA M, MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: HALFORDIN (14-CD3)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O6
CH$EXACT_MASS: 276.06339
CH$SMILES: [2H]C([2H])([2H])OC(C(=O)3)=C(OC)c(c(O3)1)c(OC)c(c2)c(oc2)c1
CH$IUPAC: InChI=1S/C14H12O6/c1-16-11-7-4-5-19-8(7)6-9-10(11)12(17-2)13(18-3)14(15)20-9/h4-6H,1-3H3/i3D3
CH$LINK: INCHIKEY SHOQQSABOUVQLJ-HPRDVNIFSA-N

AC$INSTRUMENT: AEI-GEC MS-902
AC$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$SPLASH: splash10-004r-0290000000-138f0117ccc0ad58fb49
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  119 3 30
  147 9 90
  175 7 70
  190 18 180
  193 4 40
  221 6 60
  236 51 510
  261 3 30
  264 20 200
  279 99.99 999
//

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