| SpectraBase Spectrum ID |
AL2NZWqt3GA |
| Name |
Fructose |
| CAS Registry Number |
57-48-7 |
| Collision Energy |
35 eV |
| Comments |
Compound with almost identical fragmentation pattern: glucose, C6H12O6, 50-99-7 |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
180.063388100 u |
| Formula |
C6H12O6 |
| InChI |
InChI=1S/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2 |
| InChIKey |
GZCGUPFRVQAUEE-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
180.156 g/mol |
| Nominal Mass |
180 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
179.056 |
| SMILES |
OC(C(CO)O)C(O)C(O)C=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2,3,4,5,6-pentahydroxyhexanal |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_71.15 |
