| SpectraBase Spectrum ID |
ByLIePwNYWR |
| Name |
Pimelic acid |
| CAS Registry Number |
111-16-0 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
160.073558862 u |
| Formula |
C7H12O4 |
| InChI |
InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
| InChIKey |
WLJVNTCWHIRURA-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
160.169 g/mol |
| Nominal Mass |
160 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
159.066 |
| SMILES |
OC(CCCCCC(O)=O)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
heptanedioic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_119.8 |
