Agmatine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: PR100307

Outputs for Agmatine; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+

Database: Plant Science Center, RIKEN
Entry ID: PR100307
Synonyms: Agmatine, 1-Amino-4-guanidinobutane, 4-Guanidinobutylamine, N-(4-Aminobutyl)guanidine
Total mass: 130.1909
Formula: H14 C5 N4

Experimental information

MS type: MS2
Instrument: UPLC Q-Tof Premier, Waters
Instrument type: LC-ESI-QTOF
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 115.9658,
Processing time: 0:00:01.550533

Results for the quried mass "114.1031"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N3	0.065	12	0	C1,C2,C3,C4,C5,N7,N8,N9
C5N3	0.065	12	0	C1,C2,C3,C4,C5,N6,N8,N9
C5N3	0.065	12	0	C1,C2,C3,C4,C5,N6,N7,N9
C5N4	0.039	2	0	C1,C2,C3,C4,C5,N6,N7,N8,N9