NMRFAM Logo Computational Annotation of MS Peaks (CAMP)
Home
Processed databases
Atom-Mass pairs

Search:
(Search for compound name or MassBank ID)

Submission id: SM866001

Outputs for 4-Aminoantipyrine; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+


Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM866001
Synonyms: 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: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 58.0653, 84.0682, 85.0761, 95.0491, 106.0653, 111.0553, 120.0444, 131.0604, 132.0444, 132.0809, 142.0652, 145.0761, 146.0601, 159.0917, 161.0712, 161.0949, 172.0631, 177.1024, 187.0867, 189.0898,
Processing time: 0:00:02.662512

Results for the quried mass "68.0496"

FormulaMass differencesNum. used protonsNum. required extra protonsAtom names
C2O1N2 0.015 0 0 C8,C11,N13,N14,O15
C2O1N2 0.015 0 0 C9,C11,N13,N14,O15
C2O1N2 0.015 0 0 C10,C11,N13,N14,O15
C2O1N2 0.015 0 0 C10,C11,N12,N14,O15
C2O1N2 0.015 0 0 C2,C11,N13,N14,O15
C2N3 0.008 2 0 C8,C10,N12,N13,N14
C2N3 0.008 2 0 C10,C11,N12,N13,N14
C4O1 0.024 4 1 C1,C8,C10,C11,O15
C3N2 0.028 4 2 C4,C6,C9,N13,N14
C3N2 0.028 4 2 C5,C7,C9,N13,N14
C3N2 0.028 4 2 C6,C7,C9,N13,N14
C3N2 0.028 4 1 C1,C8,C9,N13,N14
C3N2 0.028 4 1 C1,C8,C11,N13,N14
C3N2 0.028 4 2 C8,C10,C11,N12,N14
C3N2 0.028 4 1 C1,C8,C10,N13,N14
C3N2 0.028 4 0 C1,C8,C10,N12,N13
C3N2 0.028 4 2 C9,C10,C11,N12,N14
C3N2 0.028 4 2 C8,C10,C11,N12,N13
C3O1N1 0.004 2 1 C6,C9,C11,N14,O15
C3O1N1 0.004 2 1 C7,C9,C11,N14,O15
C3O1N1 0.004 2 2 C8,C10,C11,N14,O15
C3O1N1 0.004 2 0 C8,C10,C11,N12,O15
C3O1N1 0.004 2 2 C8,C10,C11,N13,O15
C3O1N1 0.004 2 2 C9,C10,C11,N14,O15
Flag Counter