MassBank Record: MSBNK-Washington_State_Univ-BML01531
ACCESSION: MSBNK-Washington_State_Univ-BML01531
RECORD_TITLE: 7-Hydroxy-3'-methoxyflavone; LC-ESI-QTOF; MS2; CE 40 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 1.162
CH$NAME: 7-Hydroxy-3'-methoxyflavone
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H12O4
CH$EXACT_MASS: 268.073559
CH$SMILES: COC1=CC=CC(=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O
CH$IUPAC: InChI=1S/C16H12O4/c1-19-12-4-2-3-10(7-12)15-9-14(18)13-6-5-11(17)8-16(13)20-15/h2-9,17H,1H3
CH$LINK: CHEMSPIDER
4537957
CH$LINK: PUBCHEM
CID:5393153
CH$LINK: INCHIKEY
PTXIWVJSAQPKEY-UHFFFAOYSA-N
AC$INSTRUMENT: Agilent 1200 RRLC; Agilent 6520 QTOF
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 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$CHROMATOGRAPHY: RETENTION_TIME 8.607
AC$CHROMATOGRAPHY: SOLVENT A water with 0.2% acetic acid
AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.2% acetic acid
MS$FOCUSED_ION: BASE_PEAK 195
MS$FOCUSED_ION: PRECURSOR_M/Z 267.0663
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-006t-0940000000-7e1c1f14d1bdf5bfa492
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
103.0701 21 3
117.0383 60 9
120.4454 57 9
132.0242 129 19
135.0074 2287 345
135.0428 69 10
135.0642 32 5
135.0868 24 4
135.1129 25 4
135.4515 27 4
139.0582 25 4
139.7781 32 5
152.0586 56 8
159.0038 26 4
167.0491 519 78
167.0846 37 6
168.0572 285 43
179.0468 22 3
180.0565 61 9
182.0401 96 15
182.4852 22 3
183.0459 24 4
188.5357 36 5
195.0441 6614 999
195.0837 282 43
195.1126 26 4
195.1748 99 15
195.2239 26 4
195.2896 21 3
195.3124 24 4
195.3828 23 3
195.4913 38 6
195.6669 25 4
195.6876 21 3
195.7492 30 5
196.0525 360 54
196.0805 91 14
196.3531 31 5
196.6868 22 3
197.4883 20 3
198.0255 31 5
198.0361 83 13
198.5711 29 4
222.5174 25 4
223.0388 350 53
224.0465 4737 715
224.0846 187 28
224.1139 108 16
224.1473 41 6
224.1839 74 11
224.2326 28 4
224.288 33 5
224.3277 38 6
224.3819 27 4
224.4244 34 5
224.5671 24 4
224.6217 39 6
224.6861 36 5
224.7254 29 4
229.588 22 3
251.0293 30 5
252.0407 627 95
252.3745 21 3
267.2647 22 3
//