MassBank Record: JP003135



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

ACCESSION: JP003135
RECORD_TITLE: MAACKIAIN ACETATE; 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$NAME: MAACKIAIN ACETATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H14O6 CH$EXACT_MASS: 326.07904 CH$SMILES: CC(=O)Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(c(O3)c(OC3)c2)1 CH$IUPAC: InChI=1S/C18H14O6/c1-9(19)23-10-2-3-12-15(6-10)20-7-13-11-4-5-14-18(22-8-21-14)17(11)24-16(12)13/h2-6,13,16H,7-8H2,1H3/t13-,16-/m0/s1
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$SPLASH: splash10-001i-0792000000-fabcdf258a559e5b0d58 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 134 32 320 139 4 40 141 4 40 147 12 120 151 12 120 152 4 40 162 20 200 171 4 40 175 16 160 247 4 40 253 4 40 267 4 40 283 12 120 284 99.99 999 285 12 120 326 28 280 329 4 40 //