ACCESSION: MSBNK-Washington_State_Univ-BML00018
RECORD_TITLE: Foliosidine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 ev
AC$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 7.276
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid

MS$FOCUSED_ION: BASE_PEAK 290
MS$FOCUSED_ION: PRECURSOR_M/Z 308.1493
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a4l-0190000000-55f0f6fd69e916438f60
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  146.0626 32 23
  162.048 25 18
  173.042 73 53
  174.0537 139 102
  176.0693 23 17
  187.1186 26 19
  188.0666 169 123
  190.0489 59 43
  191.0579 79 58
  192.0615 34 25
  192.0709 27 20
  203.0547 47 34
  204.0642 228 167
  205.0725 968 707
  205.1194 35 26
  206.0791 843 616
  206.1212 33 24
  218.0815 323 236
  219.0789 27 20
  230.0837 119 87
  244.1388 29 21
  260.1294 36 26
  272.1283 57 42
  290.138 1368 999
  290.187 63 46
  290.2218 36 26
  291.1455 25 18
  308.149 331 242
//