MassBank Record: PB005726



 Naringin; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB005726
RECORD_TITLE: Naringin; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+
DATE: 2016.01.19 (Created 2009.02.18, modified 2013.06.04)
AUTHORS: Heinz T, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 2201
COMMENT: CONFIDENCE: confident structure

CH$NAME: Naringin CH$NAME: (2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C27H32O14 CH$EXACT_MASS: 580.17921 CH$SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O CH$IUPAC: InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 CH$LINK: INCHIKEY DFPMSGMNTNDNHN-ZPHOTFPESA-N CH$LINK: PUBCHEM CID:442428
AC$INSTRUMENT: micrOTOF-Q AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-0390000000-4c18bc62d63c489b84cc PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 119.047 10.010 0 121.063 10.010 0 129.053 10.010 0 147.042 460.460 45 148.046 30.030 2 151.038 10.010 0 153.016 2892.893 288 154.020 170.170 16 165.016 30.030 2 171.026 330.330 32 172.031 20.020 1 177.016 10.010 0 179.031 90.090 8 189.050 10.010 0 191.031 10.010 0 195.026 280.280 27 196.027 10.010 0 203.030 10.010 0 219.025 240.240 23 220.028 20.020 1 231.054 90.090 8 233.043 10.010 0 237.036 10.010 0 243.025 20.020 1 245.041 120.120 11 246.046 10.010 0 249.036 30.030 2 255.062 30.030 2 261.035 110.110 10 262.040 10.010 0 263.050 190.190 18 264.055 20.020 1 271.053 10.010 0 272.059 10.010 0 273.071 10000.000 999 274.075 1291.291 128 275.078 40.040 3 279.046 40.040 3 281.061 20.020 1 285.071 140.140 13 286.075 20.020 1 297.069 120.120 11 298.073 10.010 0 315.081 70.070 6 316.084 10.010 0 323.084 10.010 0 339.082 130.130 12 340.085 20.020 1 351.079 50.050 4 352.085 10.010 0 363.079 10.010 0 365.097 30.030 2 369.091 10.010 0 381.092 20.020 1 383.108 10.010 0 399.104 10.010 0 //