Methionine; LC-ESI-ITFT; MS2; CE 30.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000448

Outputs for Methionine; LC-ESI-ITFT; MS2; CE 30.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000448
Synonyms: Methionine
Total mass: 149.2109
Formula: H11 C5 S1 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: 299.226868,
Replicated queried mass peaks: 104.052704, 299.234985,
Processing time: 0:00:01.561723

Results for the quried mass "87.026245"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O1N1	0.094	9	2	C2,C3,C4,C5,N6,O7
C4O1N1	0.094	9	1	C2,C3,C4,C5,N6,O8
C4S1	0.137	7	2	C2,C3,C4,C5,S9
C3O2N1	0.051	5	0	C2,C4,C5,N6,O7,O8
C3S1N1	0.117	5	0	C2,C3,C4,N6,S9
C4O2	0.071	7	1	C2,C3,C4,C5,O7,O8