ACCESSION: MSBNK-BS-BS003295
RECORD_TITLE: 6-Methoxyluteolin; LC-ESI-QTOF; MS2; CE:50 eV; [M-H]-
DATE: 2017.12.01 (Created 2013.11.09)
AUTHORS: Plant Biology, The Noble Foundation, Ardmore, OK, US/Dennis Fine, Daniel Wherritt, and Lloyd Sumner
LICENSE: CC BY-NC-SA

CH$NAME: 6-Methoxyluteolin
CH$COMPOUND_CLASS: Natural Product; N/A
CH$FORMULA: C₁₆H₁₂O₇
CH$EXACT_MASS: 316.0583
CH$SMILES: C(OC1=C(C2=C(C(=C1O[H])[H])OC(=C(C2=O)[H])C3=C(C(=C(C(=C3[H])[H])O[H])O[H])[H])O[H])([H])([H])[H]
CH$IUPAC: InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3
CH$LINK: CAS 520-11-6
CH$LINK: COMPTOX DTXSID10199959
CH$LINK: INCHIKEY FHHSEFRSDKWJKJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:5317284

AC$INSTRUMENT: Bruker impact HD
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: ISOLATION_WIDTH 5
AC$MASS_SPECTROMETRY: PEAK_WIDTH 0.02
AC$MASS_SPECTROMETRY: MASS_RANGE_M/Z 94.8831-2005.3
AC$CHROMATOGRAPHY: COLUMN_NAME Waters Acquity BEH C18 1.7um x 2.1 x 150 mm
AC$CHROMATOGRAPHY: FLOW_GRADIENT 95/5 at 0 min, 20/80 at 35 min; 5/95 at 35 min, 5/95 at 38 min; 95/5 at 38.1 min, 95/5 at 45 min
AC$CHROMATOGRAPHY: FLOW_RATE FLOW_RATE 560 uL / min
AC$CHROMATOGRAPHY: SOLVENT A water with 0.05% formic acid
AC$CHROMATOGRAPHY: SOLVENT B acetonitrile with 0.05 % formic acid
AC$CHROMATOGRAPHY: RETENTION_TIME 528 sec

MS$FOCUSED_ION: PRECURSOR_M/Z 315.1
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE convert from Bruker Library Editor (https://github.com/MassBank/MassBank2NIST)

PK$SPLASH: splash10-001r-0940000000-5baa8bd5a625567f08dd
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  108.0233 92 92
  110.0016 374 374
  111.0077 171 171
  132.0219 402 402
  133.0296 999 999
  134.0359 193 193
  135.0437 143 143
  136.9886 598 598
  139.0045 204 204
  143.0515 130 130
  145.0324 165 165
  146.0374 118 118
  158.0393 117 117
  159.0448 120 120
  163.0046 80 80
  164.0149 83 83
  165.9927 114 114
  170.0358 77 77
  171.0468 140 140
  173.0266 179 179
  174.0318 84 84
  175.0411 89 89
  182.0366 84 84
  183.0445 123 123
  185.0258 87 87
  187.0404 103 103
  199.0400 406 406
  200.0451 90 90
  201.0198 790 790
  202.0251 113 113
  213.0197 96 96
  214.0284 107 107
  215.0343 150 150
  216.0397 86 86
  226.0277 93 93
  227.0339 420 420
  228.0413 175 175
  229.0172 122 122
  230.0240 95 95
  243.0296 190 190
  255.0274 115 115
  271.0232 145 145
  299.0203 161 161
  300.0257 120 120
//