MassBank Record: CB000315



 Glabranin; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000315
RECORD_TITLE: Glabranin; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant, Pyrans

CH$NAME: Glabranin CH$COMPOUND_CLASS: Flavonoids CH$FORMULA: C20H20O4 CH$EXACT_MASS: 324.38 CH$SMILES: CC(C)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O CH$IUPAC: InChI=1S/C20H20O4/c1-12(2)8-9-14-15(21)10-16(22)19-17(23)11-18(24-20(14)19)13-6-4-3-5-7-13/h3-8,10,18,21-22H,9,11H2,1-2H3/t18-/m0/s1 CH$LINK: CAS 41983-91-9 CH$LINK: PUBCHEM CID:2397096 CH$LINK: INCHIKEY DAWSYIQAGQMLFS-SFHVURJKSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00b9-0159000000-4c3d6ec865dab072096f PK$NUM_PEAK: 82 PK$PEAK: m/z int. rel.int. 130.9000 159875.0625 29 131.0000 133282.2500 24 131.1000 127122.7188 23 131.2000 119758.5469 21 141.6000 204514.6250 37 141.7000 228107.2188 42 141.8000 230130.0938 42 141.9000 202809.9844 37 142.0000 211356.0156 39 142.1000 162375.2500 29 142.2000 128304.6094 23 142.3000 147351.4375 27 164.4000 546039.0000 102 164.5000 992252.6250 187 164.6000 828172.7500 156 164.7000 973774.1250 184 164.8000 969364.6875 183 164.9000 906246.6250 171 165.0000 885767.8125 167 165.1000 800170.7500 151 165.2000 798784.4375 150 165.3000 663933.8125 125 165.4000 511786.5000 96 165.5000 161466.0938 29 268.3000 244722.0156 45 268.4000 1611774.2500 305 268.5000 2623528.7500 498 268.6000 3254619.0000 618 268.7000 3368877.0000 639 268.8000 3329033.0000 632 268.9000 3291076.0000 624 269.0000 3239413.0000 615 269.1000 3131905.2500 594 269.2000 2951119.7500 560 269.3000 2667122.2500 506 269.4000 2076693.7500 394 269.5000 1074917.7500 203 269.6000 865675.3750 163 269.7000 661365.4375 124 269.8000 630340.5000 118 269.9000 657456.1250 124 270.0000 652773.8750 123 270.1000 700209.0000 132 270.2000 606156.9375 114 270.3000 602770.3750 113 270.4000 373367.5625 70 270.5000 197627.7656 36 270.6000 151465.3750 27 270.9000 129668.3438 23 271.0000 131827.5781 24 324.3000 141419.2031 25 324.4000 1300683.8750 246 324.5000 3090766.7500 586 324.6000 4606942.0000 875 324.7000 4875552.5000 926 324.8000 5148708.0000 978 324.9000 5110001.0000 970 325.0000 5016427.5000 953 325.1000 4870802.0000 925 325.2000 5257329.5000 999 325.3000 4156229.0000 789 325.4000 3618576.7500 687 325.5000 2219181.2500 421 325.6000 1665846.1250 315 325.7000 1814561.5000 344 325.8000 1702507.7500 322 325.9000 1624388.7500 307 326.0000 1570407.5000 297 326.1000 1534405.2500 290 326.2000 1523017.7500 288 326.3000 1350210.1250 255 326.4000 1128307.6250 213 326.5000 603247.6875 113 326.6000 363526.0000 68 326.7000 283838.5000 52 326.8000 256154.6406 47 326.9000 261245.9375 48 327.0000 276428.7813 51 327.1000 260995.8906 48 327.2000 236335.0625 43 327.3000 201082.5313 37 327.4000 182740.3281 33 //