ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003133
RECORD_TITLE: MAACKIAIN; 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$NAME: MAACKIAIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₂O₅
CH$EXACT_MASS: 284.06847
CH$SMILES: Oc(c5)cc(O4)c(c5)C([H])(O1)C([H])(C4)c(c2)c(c(O3)c(OC3)c2)1
CH$IUPAC: InChI=1S/C16H12O5/c17-8-1-2-10-13(5-8)18-6-11-9-3-4-12-16(20-7-19-12)15(9)21-14(10)11/h1-5,11,14,17H,6-7H2/t11-,14-/m0/s1
CH$LINK: INCHIKEY SMEBAXWPNGCZEO-FZMZJTMJSA-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$SPLASH: splash10-001i-0390000000-d54197211f3a6129aad0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  134 12 120
  137 2 20
  141 5 50
  147 9 90
  151 7 70
  162 13 130
  175 7 70
  197 3 30
  267 8 80
  283 19 190
  284 99.99 999
  285 15 150
//