| SpectraBase Spectrum ID |
9CV7iDZUJ5T |
| Name |
Phlorhizin |
| CAS Registry Number |
60-81-1 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
436.136946963 u |
| Formula |
C21H24O10 |
| InChI |
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1 |
| InChIKey |
IOUVKUPGCMBWBT-QNDFHXLGSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
436.413 g/mol |
| Nominal Mass |
436 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
435.13 |
| SMILES |
O[C@@]1([C@](O[C@@](OC2=CC(O)=CC(=C2C(=O)CCC2=CC=C(O)C=C2)O)([C@@]([C@]1(O)[H])(O)[H])[H])(CO)[H])[H] |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_116.10 |
