MassBank Record: JP003116



 HALFORDININ; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

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
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 //