| SpectraBase Spectrum ID |
Gue6A4k7UAD |
| Name |
Azithromycin |
| CAS Registry Number |
83905-01-5 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
748.508525754 u |
| Formula |
C38H72N2O12 |
| InChI |
InChI=1S/C38H72N2O12/c1-15-27-38(10,46)31(42)24(6)40(13)19-20(2)17-36(8,45)33(52-35-29(41)26(39(11)12)16-21(3)48-35)22(4)30(23(5)34(44)50-27)51-28-18-37(9,47-14)32(43)25(7)49-28/h20-33,35,41-43,45-46H,15-19H2,1-14H3/t20-,21-,22+,23-,24-,25+,26+,27-,28+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1 |
| InChIKey |
MQTOSJVFKKJCRP-BICOPXKESA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
748.996 g/mol |
| Nominal Mass |
748 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
749.516 |
| SMILES |
O[C@]1([C@@](O[C@@](O[C@]2([C@@]([C@]([C@](O)(C[C@](CN([C@@]([C@]([C@@]([C@](OC([C@@]2(C)[H])=O)(CC)[H])(O)C)(O)[H])(C)[H])C)(C)[H])C)(O[C@@]2(O[C@@](C[C@](N(C)C)([C@]2(O)[H])[H])(C)[H])[H])[H])(C)[H])[H])(C[C@]1(OC)C)[H])(C)[H])[H] |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_80.2 |
