D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO003853

Outputs for D-5-Oxoproline; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO003853
Synonyms: D-5-Oxoproline, 5-Oxo-D-proline, D-Pyroglutamic acid, D-5-Pyrrolidone-2-carboxylic acid
Total mass: 129.1137
Formula: H7 C5 O3 N1

Experimental information

MS type: MS2
Instrument: API3000, Applied Biosystems
Instrument type: LC-ESI-QQ
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 84.8, 95.3,
Processing time: 0:00:01.594175

Results for the quried mass "62.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5	0.031	2	0	C1,C2,C3,C4,C5
C4O1	0.074	2	0	C1,C2,C3,C5,O8
C4O1	0.074	2	0	C1,C2,C3,C5,O9
C4O1	0.074	2	0	C1,C2,C3,C4,O7
C4N1	0.050	0	0	C1,C2,C3,C4,N6
C4N1	0.050	0	0	C2,C3,C4,C5,N6
C4N1	0.050	0	0	C1,C2,C3,C5,N6
C4N1	0.050	0	0	C1,C3,C4,C5,N6