Standard Properties
- Full Name: 2-Methylhippuric acid
- Spectrum Type: LC MS/MS +
- File: combined.msp
- Submission: Uropathogenic versus Urocolonizing Escherichia coli
- Cluster: Cluster ID = 1300286
- Synonym:
- External ID: 42013207
- Identifiers: CAS (42013207)
- Formula: C10H11NO3
- Precursor m/z: 194.081427
- Retention time: 7.486417
- Retention index:
- Molecular mass: 193.074
- Canonical SMILES:
- InChi:
- InChiKey: YOEBAVRJHRCKRE-UHFFFAOYSA-N
- Isotopic Distribution: 100.00 - 1.74 - 0.62 - 0.01
Molecular Structure
| M/z | Intensity |
|---|---|
| 119.0494 | 100 |
| 194.1178 | 11.532 |
| 194.0816 | 7.4137 |
| 135.0443 | 2.9634 |
| 195.0876 | 2.2145 |
| 166.0858 | 1.9437 |
| 138.0549 | 1.7165 |
| 194.1541 | 1.6991 |
| 109.0651 | 1.6594 |
| 126.055 | 1.5569 |
| 148.0758 | 1.3626 |
| 58.0655 | 1.3323 |
| 176.0705 | 1.2828 |
| 91.0545 | 1.1826 |
| 180.0661 | 1.0599 |
| 134.1047 | 0.8793 |
| 195.0654 | 0.79 |
| 105.0336 | 0.7337 |
| 194.0517 | 0.6811 |
| 140.0705 | 0.5464 |
| 69.0338 | 0.5252 |
| 152.0707 | 0.5131 |
| 170.9736 | 0.496 |
| 138.0663 | 0.4919 |
| 148.1216 | 0.4706 |
| 120.0529 | 0.429 |
| 195.1102 | 0.3934 |
| 108.0442 | 0.3905 |
| 149.0597 | 0.3693 |
| 124.0764 | 0.3639 |
| 133.1013 | 0.361 |
| 120.0808 | 0.3419 |
| 177.0542 | 0.3392 |
| 173.0621 | 0.2997 |
| 176.1069 | 0.2796 |
| 145.8921 | 0.2787 |
| 106.0657 | 0.2663 |
| 67.0545 | 0.2585 |
| 171.0363 | 0.257 |
| 149.108 | 0.2339 |
| 62.3698 | 0.2246 |
| 176.1514 | 0.2148 |
| 139.0757 | 0.211 |
| 89.8622 | 0.2054 |
| 200.6586 | 0.2049 |
| 58.1223 | 0.2016 |
| 86.1644 | 0.1942 |