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Submission id: UF408302

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: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 85.0761, 130.0649,
Processing time: 0:00:01.956864

Results for the quried mass "104.0494"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C6O1N1 0.037 2 0 C3,C4,C5,C7,C9,C11,N14,O15
C6O1N1 0.037 2 0 C3,C4,C6,C7,C9,C11,N14,O15
C6O1N1 0.037 2 0 C3,C4,C6,C9,C10,C11,N14,O15
C6O1N1 0.037 2 0 C3,C4,C5,C6,C9,C11,N14,O15
C6O1N1 0.037 2 0 C3,C5,C6,C7,C9,C11,N14,O15
C6O1N1 0.037 2 0 C3,C5,C7,C9,C10,C11,N14,O15
C6O1N1 0.037 2 0 C4,C5,C6,C7,C9,C11,N14,O15
C6O1N1 0.037 2 0 C4,C6,C8,C9,C10,C11,N14,O15
C6O1N1 0.037 2 0 C5,C7,C8,C9,C10,C11,N14,O15
C6O1N1 0.037 2 0 C6,C7,C8,C9,C10,C11,N14,O15
C7N1 0.080 6 2 C3,C4,C5,C7,C9,C10,C11,N14
C7N1 0.080 6 1 C3,C4,C5,C6,C7,C9,C11,N14
C7N1 0.080 6 2 C3,C4,C6,C7,C9,C10,C11,N14
C7N1 0.080 6 2 C3,C4,C5,C6,C9,C10,C11,N14
C7N1 0.080 6 2 C3,C5,C6,C7,C9,C10,C11,N14
C7N1 0.080 6 2 C4,C5,C6,C7,C9,C10,C11,N14
C6N2 0.060 4 1 C3,C4,C6,C8,C9,C10,N13,N14
C6N2 0.060 4 1 C3,C5,C7,C8,C9,C10,N13,N14
C6N2 0.060 4 0 C3,C4,C6,C9,C10,C11,N12,N14
C6N2 0.060 4 0 C3,C5,C7,C9,C10,C11,N12,N14
C6N2 0.060 4 0 C3,C4,C5,C7,C8,C9,N13,N14
C6N2 0.060 4 0 C3,C4,C5,C6,C7,C9,N13,N14
C6N2 0.060 4 0 C3,C4,C6,C7,C8,C9,N13,N14
C6N2 0.060 4 1 C3,C4,C6,C8,C9,C11,N13,N14
C6N2 0.060 4 0 C3,C4,C5,C6,C8,C9,N13,N14
C6N2 0.060 4 1 C3,C4,C6,C9,C10,C11,N13,N14
C6N2 0.060 4 0 C3,C5,C6,C7,C8,C9,N13,N14
C6N2 0.060 4 1 C3,C5,C7,C8,C9,C11,N13,N14
C6N2 0.060 4 1 C3,C5,C7,C9,C10,C11,N13,N14
C6N2 0.060 4 2 C4,C6,C8,C9,C10,C11,N13,N14
C6N2 0.060 4 0 C3,C4,C5,C7,C9,C11,N13,N14
C6N2 0.060 4 0 C4,C5,C6,C7,C8,C9,N13,N14
C6N2 0.060 4 1 C4,C6,C7,C8,C9,C10,N13,N14
C6N2 0.060 4 0 C4,C6,C7,C9,C10,C11,N12,N14
C6N2 0.060 4 0 C4,C6,C8,C9,C10,C11,N12,N14
C6N2 0.060 4 1 C4,C6,C7,C8,C9,C11,N13,N14
C6N2 0.060 4 1 C4,C6,C7,C9,C10,C11,N13,N14
C6N2 0.060 4 0 C3,C4,C5,C6,C9,C11,N13,N14
C6N2 0.060 4 0 C4,C5,C6,C7,C9,C11,N13,N14
C6N2 0.060 4 2 C5,C7,C8,C9,C10,C11,N13,N14
C6N2 0.060 4 1 C5,C6,C7,C8,C9,C10,N13,N14
C6N2 0.060 4 0 C5,C6,C7,C9,C10,C11,N12,N14
C6N2 0.060 4 0 C5,C7,C8,C9,C10,C11,N12,N14
C6N2 0.060 4 1 C5,C6,C7,C8,C9,C11,N13,N14
C6N2 0.060 4 1 C5,C6,C7,C9,C10,C11,N13,N14
C6N2 0.060 4 2 C6,C7,C8,C9,C10,C11,N13,N14
C5N3 0.040 2 0 C4,C6,C8,C9,C10,N12,N13,N14
C5N3 0.040 2 0 C4,C6,C9,C10,C11,N12,N13,N14
C5N3 0.040 2 0 C5,C7,C8,C9,C10,N12,N13,N14
C5N3 0.040 2 0 C5,C7,C9,C10,C11,N12,N13,N14
C5N3 0.040 2 0 C6,C7,C8,C9,C10,N12,N13,N14
C5N3 0.040 2 0 C6,C8,C9,C10,C11,N12,N13,N14
C5N3 0.040 2 0 C6,C7,C9,C10,C11,N12,N13,N14
C5N3 0.040 2 0 C7,C8,C9,C10,C11,N12,N13,N14
C5N3 0.040 2 0 C1,C8,C9,C10,C11,N12,N13,N14
C4O1N3 0.003 2 0 C6,C9,C10,C11,N12,N13,N14,O15
C4O1N3 0.003 2 0 C7,C9,C10,C11,N12,N13,N14,O15
C4O1N3 0.003 2 0 C1,C8,C10,C11,N12,N13,N14,O15
C4O1N3 0.003 2 0 C8,C9,C10,C11,N12,N13,N14,O15
C5O1N2 0.017 0 0 C1,C2,C8,C10,C11,N12,N13,O15
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