Leucine; LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000682

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 25.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000682
Synonyms: Leucine
Total mass: 131.1724
Formula: H13 C6 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: 141.125336,143.391052,191.200211,231.914474,276.960571,288.77359,291.571564,299.200439,
Replicated queried mass peaks: 86.094704, 86.096313, 291.585419, 299.209106, 299.217865,
Processing time: 0:00:01.884959

Results for the quried mass "72.802757"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.250	1	0	C1,C2,C3,C4,C5,N7
C2O2N1	0.248	3	0	O9,C5,C6,N7,O8