Ciliatine; 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: PR100520

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

Database: Plant Science Center, RIKEN
Entry ID: PR100520
Synonyms: 2-Aminoethylphosphonic acid, 2-AEP, Ciliatine, Phosphonoethylamine
Total mass: 125.0633
Formula: P1 C2 H8 O3 N1

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 79.9672,
Processing time: 0:00:00.792427

Results for the quried mass "106.9891"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
P1C2O3	0.036	4	0	C1,C2,O4,O5,O6,P7
P1C2O2N1	0.059	6	0	C1,C2,N3,O5,O6,P7
P1C2O2N1	0.059	6	0	C1,C2,N3,O4,O6,P7
P1C2O2N1	0.059	6	0	C1,C2,N3,O4,O5,P7