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MassBank Record: BML00005

Foliosidine; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

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

ACCESSION: BML00005
RECORD_TITLE: Foliosidine; LC-ESI-QTOF; MS2; CE 10 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 0.990

CH$NAME: Foliosidine
CH$NAME: 8-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-1-methylhydroquinolin-2-one
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21NO5
CH$EXACT_MASS: 307.141973
CH$SMILES: CC(C)(C(COC1=CC=CC2=C1N(C(=O)C=C2OC)C)O)O
CH$IUPAC: InChI=1S/C16H21NO5/c1-16(2,20)13(18)9-22-11-7-5-6-10-12(21-4)8-14(19)17(3)15(10)11/h5-8,13,18,20H,9H2,1-4H3
CH$LINK: CHEMSPIDER 2114844
CH$LINK: PUBCHEM CID:2837663
CH$LINK: INCHIKEY IUPYLWAXGAJZQC-UHFFFAOYSA-N

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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 ev
AC$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 7.276
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 308
MS$FOCUSED_ION: PRECURSOR_M/Z 308.1493
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4i-0049000000-03ded87b13691df8e891
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  146.0574 34 11
  204.0675 72 23
  205.0712 204 64
  206.0787 209 66
  218.0829 88 28
  230.0857 34 11
  260.1255 33 10
  272.1247 81 25
  290.1382 1131 355
  290.1915 39 12
  308.1488 3181 999
  308.1955 151 47
  308.2339 35 11
  308.3067 55 17
//

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