L-Ethionine; 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: PR100469

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

Database: Plant Science Center, RIKEN
Entry ID: PR100469
Synonyms: L-Ethionine, Eth, Et-homoCys, S-ethyl-L-homocysteine, L-2-Amino-4-(ethylthio)butyric acid
Total mass: 163.2374
Formula: H13 C6 S1 O2 N1

Experimental information

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

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 74.0249, 74.0612, 75.0275, 102.0557,
Processing time: 0:00:01.548584

Results for the quried mass "147.0479"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5S1O2N1	0.147	9	0	C2,C3,C4,C5,C6,N7,O8,O9,S10
C6S1O1N1	0.190	13	0	C1,C2,C3,C4,C5,C6,N7,O9,S10
C6S1O1N1	0.190	13	1	C1,C2,C3,C4,C5,C6,N7,O8,S10
C6S1O2	0.167	11	0	C1,C2,C3,C4,C5,C6,O8,O9,S10