| SpectraBase Spectrum ID |
HsEdjxebkcN |
| Name |
Indomethacin |
| CAS Registry Number |
53-86-1 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
357.076785695 u |
| Formula |
C19H16ClNO4 |
| InChI |
InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) |
| InChIKey |
CGIGDMFJXJATDK-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
357.793 g/mol |
| Nominal Mass |
357 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
358.084 |
| SMILES |
OC(=O)CC=1C2=C(N(C1C)C(=O)C1=CC=C(Cl)C=C1)C=CC(OC)=C2 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_433.8 |
