MassBank MassBank Search Contents Download

MassBank Record: KO009241

Sanguinarine; LC-ESI-IT; MS3; m/z: 332/246; [M+H]+

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

ACCESSION: KO009241
RECORD_TITLE: Sanguinarine; LC-ESI-IT; MS3; m/z: 332/246; [M+H]+
DATE: 2012.10.22 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S042
COMMENT: [MS2] KO009237

CH$NAME: Sanguinarine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H14NO4+
CH$EXACT_MASS: 332.09228
CH$SMILES: C[n+1](c1)c(c54)c(ccc(cc(O6)c(OC6)c5)4)c(c2)c1c(O3)c(OC3)c2
CH$IUPAC: InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
CH$LINK: CAS 2447-54-3
CH$LINK: CHEBI 17183
CH$LINK: KEGG C06162
CH$LINK: NIKKAJI J7.576K
CH$LINK: PUBCHEM SID:8418
CH$LINK: INCHIKEY INVGWHRKADIJHF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0045204

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.20/0.70

MS$FOCUSED_ION: PRECURSOR_M/Z 332/246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00kb-0090000000-f6db2301c4e56869fe39
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  191.1 6.24 33
  194.1 2.75 15
  204.1 20.75 110
  205.1 15.42 82
  207.1 0.83 4
  217.0 26.54 141
  218.1 187.83 999
  218.9 4.33 23
  222.0 50.03 266
  228.5 8.83 47
  231.0 4.50 24
  234.2 4.83 26
  245.1 130.27 693
  246.1 163.52 870
  262.0 2.00 11
  264.1 24.23 129
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze