| SpectraBase Spectrum ID |
GdCVBhsjz3h |
| Name |
Hesperidin |
| CAS Registry Number |
520-26-3 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
610.189770380 u |
| Formula |
C28H34O15 |
| InChI |
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1 |
| InChIKey |
QUQPHWDTPGMPEX-QJBIFVCTSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
610.565 g/mol |
| Nominal Mass |
610 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
609.182 |
| SMILES |
O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO[C@]1([C@](O)([C@@]([C@]([C@@](O1)(C)[H])(O)[H])(O)[H])[H])[H])[H])(OC=1C=C2O[C@@](CC(=O)C2=C(O)C1)(C1=CC(O)=C(OC)C=C1)[H])[H])(O)[H])(O)[H])[H] |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-2,3-dihydrochromen-4-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_75.7 |
