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

Computational Annotation of MS Peaks (CAMP)

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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 "204.1133"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C11O1N3	0.134	14	1	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,N12,N13,N14,O15