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
Experimental information
MS type: MS2
Instrument: 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
Results for the quried mass "91.054"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7 | 0.076 | 7 | 0 | C1,C2,C4,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C1,C2,C4,C5,C7,C8,C9 |
| C7 | 0.076 | 7 | 1 | C1,C2,C5,C6,C7,C9,C10 |
| C7 | 0.076 | 7 | 1 | C1,C3,C5,C6,C7,C9,C10 |
| C7 | 0.076 | 7 | 2 | C1,C3,C4,C5,C7,C8,C9 |
| C7 | 0.076 | 7 | 1 | C1,C3,C5,C6,C7,C8,C9 |
| C7 | 0.076 | 7 | 1 | C1,C2,C3,C4,C5,C7,C9 |
| C7 | 0.076 | 7 | 0 | C1,C2,C3,C5,C6,C7,C9 |
| C7 | 0.076 | 7 | 2 | C1,C2,C3,C5,C7,C8,C9 |
| C7 | 0.076 | 7 | 2 | C2,C3,C4,C5,C7,C8,C9 |
| C7 | 0.076 | 7 | 1 | C2,C4,C5,C6,C7,C9,C10 |
| C7 | 0.076 | 7 | 1 | C2,C4,C5,C6,C7,C8,C9 |
| C6O1 | 0.033 | 3 | 0 | C1,C5,C6,C7,C9,C10,O13 |
| C6O1 | 0.033 | 3 | 0 | C1,C5,C6,C7,C9,C10,O14 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C4,C7,C8,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C4,C7,C8,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C5,C6,C7,C9,C10,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C4,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C7,C8,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C4,C5,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C5,C6,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C5,C6,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C3,C5,C7,C8,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C1,C2,C3,C5,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C2,C5,C6,C7,C9,C10,O13 |
| C6O1 | 0.033 | 3 | 0 | C2,C5,C6,C7,C9,C10,O14 |
| C6O1 | 0.033 | 3 | 0 | C2,C3,C4,C7,C8,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C2,C5,C6,C7,C9,C10,O12 |
| C6O1 | 0.033 | 3 | 0 | C2,C4,C5,C6,C7,C9,O12 |
| C6O1 | 0.033 | 3 | 0 | C2,C4,C5,C7,C8,C9,O12 |
| C6F1 | 0.009 | 0 | 0 | C1,C2,C3,C4,C7,C8,F11 |
| C5O2 | 0.010 | 1 | 0 | C5,C6,C7,C9,C10,O13,O14 |
| C5O2 | 0.010 | 1 | 0 | C5,C6,C7,C9,C10,O12,O13 |
| C5O2 | 0.010 | 1 | 0 | C5,C6,C7,C9,C10,O12,O14 |