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MassBank Record: JP003115

HALKENDIN; EI-B; MS

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

ACCESSION: JP003115
RECORD_TITLE: HALKENDIN; 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$NAME: HALKENDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O5
CH$EXACT_MASS: 246.05282
CH$SMILES: COC(C(=O)3)=C(OC)c(c1)c(O3)cc(o2)c(cc2)1
CH$IUPAC: InChI=1S/C13H10O5/c1-15-11-8-5-7-3-4-17-9(7)6-10(8)18-13(14)12(11)16-2/h3-6H,1-2H3
CH$LINK: INCHIKEY NYELECLICIMRBA-UHFFFAOYSA-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$SPLASH: splash10-0w2a-0390000000-4d70fe41c61a5d6b3a20
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  104 9 90
  132 12 120
  160 62 620
  175 5 50
  203 99.99 999
  231 19 190
  246 81 810
  247 13 130
//

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