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MassBank Record: JP003135

MAACKIAIN ACETATE; EI-B; MS

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

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
CH$LINK: INCHIKEY GLQXTNUEWAAYKI-BBRMVZONSA-N

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
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  247 4 40
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  283 12 120
  284 99.99 999
  285 12 120
  326 28 280
  329 4 40
//

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