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MassBank Record: JP003116

HALFORDININ; EI-B; MS

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

ACCESSION: JP003116
RECORD_TITLE: HALFORDININ; 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$NAME: HALFORDININ
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H18O6
CH$EXACT_MASS: 330.11034
CH$SMILES: C=CC(C)(C)OC(=C(OC)3)c(c(OC(=O)3)1)c(OC)c(c2)c(oc2)c1
CH$IUPAC: InChI=1S/C18H18O6/c1-6-18(2,3)24-15-13-12(23-17(19)16(15)21-5)9-11-10(7-8-22-11)14(13)20-4/h6-9H,1H2,2-5H3
CH$LINK: INCHIKEY CJRBHIKORKDQEC-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$SPLASH: splash10-03yl-3691000000-066a27fdea0496bbf508
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  69 57 570
  147 9 90
  175 7 70
  176 9 90
  190 63 630
  191 17 170
  219 11 110
  233 33 330
  247 12 120
  262 99.99 999
  330 23 230
  331 5 50
//

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