Processed databases
Atom-Mass pairs
Outputs for 4-Fluorobenzoylpropionic acid; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+
Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM854306
Synonyms: 4-Fluorobenzoylpropionic acid, 3-(4-Fluorobenzoyl)propionic acid, 4-(4-fluorophenyl)-4-oxobutanoic acid
Total mass: 196.1747
Formula: H9 C10 O3 F1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MS2Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 69.0699, 81.0699, 85.0283, 85.0648, 95.0293, 95.0491, 99.0441, 105.0699, 109.0648, 111.044, 113.0597, 115.0541, 121.0646, 123.0241, 135.0605,
Processing time: 0:00:03.115045
Queried mass list: ['55.018', '57.070', '67.054', '79.054', '83.049', '91.054', '93.070', '97.065', '103.054', '109.045', '113.040', '121.045', '133.045', '137.060', '151.055', '161.040', '179.050', '197.060']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 55.018 (link to fragments) | 3 | 10 |
| 57.0701 (link to fragments) | 3 | 7 |
| 67.0543 (link to fragments) | 4 | 16 |
| 79.0543 (link to fragments) | 4 | 29 |
| 83.0492 (link to fragments) | 4 | 20 |
| 91.054 (link to fragments) | 4 | 34 |
| 93.0699 (link to fragments) | 5 | 26 |
| 97.0648 (link to fragments) | 5 | 17 |
| 103.0543 (link to fragments) | 5 | 37 |
| 109.0448 (link to fragments) | 1 | 1 |
| 113.0398 (link to fragments) | 1 | 1 |
| 121.0449 (link to fragments) | 2 | 3 |
| 133.0448 (link to fragments) | 2 | 4 |
| 137.0597 (link to fragments) | 2 | 4 |
| 151.0554 (link to fragments) | 2 | 3 |
| 161.0399 (link to fragments) | 1 | 1 |
| 179.0503 (link to fragments) | 3 | 8 |
| 197.0603 (link to fragments) | 1 | 1 |