Processed databases
Atom-Mass pairs
Outputs for 3`-Aminoacetophenone; 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: SM803501
Synonyms: 3`-Aminoacetophenone, 1-(3-aminophenyl)ethanone
Total mass: 135.1628
Formula: H9 C8 O1 N1
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: 147.0552,
Replicated queried mass peaks: 93.0571, 95.0491,
Processing time: 0:00:01.534200
Results for the quried mass "94.0651"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6O1 | 0.046 | 6 | 0 | C1,C2,C3,C5,C6,C7,O10 |
| C6O1 | 0.046 | 6 | 0 | C1,C2,C3,C4,C6,C7,O10 |
| C6N1 | 0.069 | 8 | 2 | C2,C3,C4,C5,C7,C8,N9 |
| C5O1N1 | 0.026 | 4 | 0 | C1,C5,C6,C7,C8,N9,O10 |