ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003238
RECORD_TITLE: MONASCORUBRIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: MONASCORUBRIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₆O₅
CH$EXACT_MASS: 382.17802
CH$SMILES: CCCCCCCC(=O)C(C(=O)3)=C(C=1)C(C)(O3)C(=O)C(=C2)C(C=C(C=CC)O2)1
CH$IUPAC: InChI=1S/C23H26O5/c1-4-6-7-8-9-11-19(24)20-18-13-15-12-16(10-5-2)27-14-17(15)21(25)23(18,3)28-22(20)26/h5,10,12-14H,4,6-9,11H2,1-3H3/b10-5+/t23-/m1/s1
CH$LINK: INCHIKEY IIPVSGPTPPURBD-HAOIVFDCSA-N

AC$INSTRUMENT: HITACHI RMU-7
AC$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$SPLASH: splash10-052b-0090000000-4abc5d80beb675283766
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  200 19 190
  213 38 380
  215 38 380
  255 34 340
  256 56 560
  257 11 110
  283 20 200
  298 99.99 999
  299 18 180
  339 8 80
  382 9 90
//