Creatinine; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: UF412502

Outputs for Creatinine; 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: UF412502
Synonyms: Creatinine, 2-Amino-3-methyl-4H-imidazol-5-one
Total mass: 113.1176
Formula: H7 C4 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:
Processing time: 0:00:00.398667

Results for the quried mass "98.0716"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O1N2	0.031	6	0	C1,C2,C3,C4,N5,N7,O8
C4O1N2	0.031	6	0	C1,C2,C3,C4,N6,N7,O8
C4N3	0.054	8	2	C1,C2,C3,C4,N5,N6,N7
C3O1N3	0.012	4	0	C1,C3,C4,N5,N6,N7,O8
C3O1N3	0.012	4	0	C2,C3,C4,N5,N6,N7,O8