Phenylalanine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000038

Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 55 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000038
Synonyms: Phenylalanine
Total mass: 165.1887
Formula: H11 C9 O2 N1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL, Thermo Scientfic; HP-1100 HPLC, Agilent
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: 56.54517, 66.862442, 70.020897, 83.652184, 84.086311, 110.630089, 149.058838,
Processing time: 0:00:02.316823

Results for the quried mass "56.250679"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O1N1	0.207	2	0	C8,C9,N10,O11
C2O1N1	0.207	2	0	C8,C9,N10,O12
C2O2	0.230	0	0	C8,C9,O11,O12
C3N1	0.164	6	1	C6,C7,C8,N10
C3N1	0.164	6	1	C6,C8,C9,N10
C3O1	0.188	4	1	C6,C8,C9,O11
C3O1	0.188	4	0	C6,C8,C9,O12