Processed databases
Atom-Mass pairs
Outputs for 4-Aminoantipyrin; LC-ESI-ITFT; MS2; CE: 35; R=15000; [M+H]+
Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF408303
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: 85.076, 146.0601, 159.0917, 189.0898,
Processing time: 0:00:02.374815
Results for the quried mass "176.1183"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C10N3 | 0.119 | 14 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,N12,N13,N14 |
| C9O1N3 | 0.077 | 10 | 0 | C1,C2,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.077 | 10 | 0 | C1,C2,C4,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.077 | 10 | 0 | C1,C2,C3,C5,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.077 | 10 | 0 | C1,C2,C3,C4,C6,C8,C9,C10,C11,N12,N13,N14,O15 |
| C9O1N3 | 0.077 | 10 | 0 | C2,C3,C4,C5,C6,C7,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C2,C3,C4,C5,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C2,C3,C4,C5,C6,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N3 | 0.008 | 2 | 0 | C1,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15 |
| C10O1N2 | 0.096 | 12 | 1 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C11,N13,N14,O15 |
| C10O1N2 | 0.096 | 12 | 2 | C1,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N14,O15 |
| C11N3 | 0.035 | 2 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14 |
| C11O1N2 | 0.012 | 0 | 0 | C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N13,N14,O15 |