Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrin; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF408302
Synonyms: 4-Aminoantipyrin, 4-Aminoantipyrine, 4-Amino-1,5-dimethyl-2-phenylpyrazol-3-one
Total mass: 203.2399
Formula: H13 C11 O1 N3
Experimental information
MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks:
Replicated queried mass peaks: 85.0761, 130.0649,
Processing time: 0:00:01.956864
Results for the quried mass "118.0652"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C7N2 | 0.070 | 6 | 0 | C2,C3,C4,C5,C6,C7,C9,N13,N14 |
| C7O1N1 | 0.047 | 4 | 0 | C3,C4,C5,C6,C7,C9,C11,N14,O15 |
| C5O1N3 | 0.008 | 0 | 0 | C1,C2,C8,C10,C11,N12,N13,N14,O15 |