MassBank MassBank Search Contents Download

MassBank Record: MSBNK-Washington_State_Univ-BML00799

Oxoglaucine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

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

ACCESSION: MSBNK-Washington_State_Univ-BML00799
RECORD_TITLE: Oxoglaucine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+
DATE: 2016.01.19 (Created 2012.10.26)
AUTHORS: Cuthbertson DJ, Johnson SR, Lange BM, Institute of Biological Chemistry, Washington State University
LICENSE: CC BY-SA
COMMENT: relative retention time with respect to 9-anthracene Carboxylic Acid is 1.249

CH$NAME: Oxoglaucine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C20H17NO5
CH$EXACT_MASS: 351.110673
CH$SMILES: COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=CC(=C(C=C42)OC)OC)OC
CH$IUPAC: InChI=1S/C20H17NO5/c1-23-13-8-11-12(9-14(13)24-2)19(22)18-16-10(5-6-21-18)7-15(25-3)20(26-4)17(11)16/h5-9H,1-4H3
CH$LINK: CAS 5574-24-3
CH$LINK: CHEMSPIDER 88148
CH$LINK: PUBCHEM CID:97662
CH$LINK: INCHIKEY ZYKCETVKVRJFGD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20204285

AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: SCANNING m/z 100-1000
AC$CHROMATOGRAPHY: COLUMN_NAME Agilent C8 Cartridge Column 2.1X30mm 3.5 micron (guard); Agilent SB-Aq 2.1x50mm 1.8 micron (analytical)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 60 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT linear from 98A/2B at 0 min to 2A/98B at 13 min, hold 6 min at 2A/98B, reequilibration 98A/2B (5 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.6 ml/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.152
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 352
MS$FOCUSED_ION: PRECURSOR_M/Z 352.1180
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0zfr-0009000000-c229f91fdc41a639f32c
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  235.0638 46 25
  276.0687 21 12
  293.0601 55 30
  294.0791 47 26
  306.0744 1378 763
  306.1256 63 35
  306.1537 27 15
  308.0814 30 17
  308.1035 52 29
  322.0671 375 208
  336.079 54 30
  337.091 430 238
  337.1131 36 20
  337.9312 25 14
  352.1145 1805 999
//

system version 2.2.5
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
de.NBI logo
EAWAG logo
fnr logo
IPB logo
NORMAN logo
UFZ logo
LCSB logo
HBM4EU logo
nfdi4chem logo