L-Ethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: KO002874

Outputs for L-Ethionine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Database: Institute for Advanced Biosciences, Keio Univ.
Entry ID: KO002874
Synonyms: Ethionine, L-Ethionine
Total mass: 163.2374
Formula: H13 C6 S1 O2 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: 63.3, 71.9, 82.0, 85.0, 101.1, 102.2, 105.0, 111.1, 118.9, 122.8, 147.1,
Processing time: 0:00:02.779337

Results for the quried mass "84.4"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O1N1	0.304	6	0	C3,C4,C5,C6,N7,O8
C4O1N1	0.304	6	0	C3,C4,C5,C6,N7,O9
C4S1	0.261	4	0	C1,C2,C3,C4,S10
C3O2N1	0.347	2	0	C3,C5,C6,N7,O8,O9
C3S1N1	0.280	2	0	C3,C4,C5,N7,S10
C4O2	0.327	4	0	C3,C4,C5,C6,O8,O9