MassBank Record: JP003123



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

ACCESSION: JP003123
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
AC$INSTRUMENT: HITACHI RMU-7L AC$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$SPLASH: splash10-0w59-3980000000-ebc95cff4b4665760105 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 75 14 140 76 62 620 104 25 250 116 19 190 117 13 130 132 55 550 160 76 760 161 9 90 175 4 40 186 4 40 203 99.99 999 204 12 120 215 4 40 217 3 30 231 14 140 246 57 570 247 7 70 //