4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EA084502

Outputs for 4-Aminoantipyrine; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EA084502
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: 85.0759, 189.0889,
Processing time: 0:00:02.214953

Results for the quried mass "176.1187"

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	0.076	10	0	C1,C2,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15
C9O1N3	0.076	10	0	C1,C2,C4,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15
C9O1N3	0.076	10	0	C1,C2,C3,C5,C7,C8,C9,C10,C11,N12,N13,N14,O15
C9O1N3	0.076	10	0	C1,C2,C3,C4,C6,C8,C9,C10,C11,N12,N13,N14,O15
C9O1N3	0.076	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