4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: EA084507

Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 90%; R=7500; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084507
Synonyms: 4-Aminoantipyrine, 4-amino-1,5-dimethyl-2-phenyl-3-pyrazolin-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: 58.0652, 92.0493, 93.0571, 95.0496, 104.0495, 105.0449, 118.0654, 130.0652, 132.0812, 146.06,
Processing time: 0:00:02.332151

Results for the quried mass "145.0762"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O1N3	0.042	3	0	C1,C2,C6,C8,C9,C10,C11,N12,N13,N14,O15
C7O1N3	0.042	3	0	C1,C2,C7,C8,C9,C10,C11,N12,N13,N14,O15
C9N2	0.105	9	0	C1,C2,C3,C4,C5,C6,C7,C8,C9,N13,N14
C8O1N2	0.062	5	0	C2,C3,C4,C5,C6,C7,C9,C11,N13,N14,O15
C8O1N2	0.062	5	0	C3,C4,C5,C6,C7,C9,C10,C11,N12,N14,O15