Processed databases
Atom-Mass pairs
Related entries (identical compound):
JP011890
EA084502
JP010803
EA084507
EA084505
EA084504
EA084503
EA084501
CO000004
CO000005
CO000002
CO000003
CO000001
UF408302
UF408303
JP000027
EA084514
EA084510
EA084511
EA084512
EA084513
JP003244
JP003820
EA084506
EA084509
EA084508
UF408304
UF408301
SM866001
Outputs for 4-Aminoantipyrine; 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: SM866001
Synonyms: 4-Aminoantipyrine, 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
Total mass: 203.2399
Formula: H13 C11 O1 N3
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: 58.0653, 84.0682, 85.0761, 95.0491, 106.0653, 111.0553, 120.0444, 131.0604, 132.0444, 132.0809, 142.0652, 145.0761, 146.0601, 159.0917, 161.0712, 161.0949, 172.0631, 177.1024, 187.0867, 189.0898,
Processing time: 0:00:02.662512
Queried mass list: ['56.050', '68.050', '77.039', '83.060', '94.065', '104.049', '109.065', '118.065', '123.081', '128.049', '130.065', '134.060', '141.091', '144.081', '147.092', '158.060', '160.076', '163.086', '170.060', '173.071', '176.118', '185.071', '188.082', '204.113']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 56.0497 (link to fragments) | 4 | 6 |
| 68.0496 (link to fragments) | 5 | 24 |
| 77.0386 (link to fragments) | 5 | 56 |
| 83.0604 (link to fragments) | 5 | 14 |
| 94.0652 (link to fragments) | 5 | 38 |
| 104.0495 (link to fragments) | 6 | 52 |
| 109.0648 (link to fragments) | 4 | 10 |
| 118.0652 (link to fragments) | 3 | 3 |
| 123.0806 (link to fragments) | 1 | 1 |
| 128.0494 (link to fragments) | 1 | 1 |
| 130.0652 (link to fragments) | 1 | 1 |
| 134.06 (link to fragments) | 1 | 1 |
| 141.091 (link to fragments) | 3 | 5 |
| 144.0806 (link to fragments) | 3 | 5 |
| 147.0919 (link to fragments) | 3 | 5 |
| 158.0601 (link to fragments) | 1 | 3 |
| 160.076 (link to fragments) | 1 | 3 |
| 163.0863 (link to fragments) | 3 | 6 |
| 170.0601 (link to fragments) | 3 | 8 |
| 173.0711 (link to fragments) | 4 | 9 |
| 176.1182 (link to fragments) | 6 | 17 |
| 185.071 (link to fragments) | 3 | 9 |
| 188.082 (link to fragments) | 3 | 9 |
| 204.1133 (link to fragments) | 1 | 1 |