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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003118

NORHALFORDIN; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003118
RECORD_TITLE: NORHALFORDIN; 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$NAME: NORHALFORDIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H10O6
CH$EXACT_MASS: 262.04774
CH$SMILES: COC(=C(O)3)c(c(OC(=O)3)1)c(OC)c(c2)c(oc2)c1
CH$IUPAC: InChI=1S/C13H10O6/c1-16-11-6-3-4-18-7(6)5-8-9(11)12(17-2)10(14)13(15)19-8/h3-5,14H,1-2H3
CH$LINK: INCHIKEY APULTQVAACQYFJ-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$SPLASH: splash10-03di-0490000000-ded03dbfe2f448e90152
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  120 3 30
  148 4 40
  176 38 380
  191 38 380
  219 46 460
  233 4 40
  247 20 200
  262 99.99 999
//

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