Leucine; LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000690

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 10.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000690
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: 148.679947,167.764465,234.689636,277.612366,291.588989,297.376251,
Replicated queried mass peaks: 86.096375, 132.093124, 132.094406, 132.095444, 132.096619, 132.097824, 132.101929, 132.105896, 149.620499, 299.205261, 299.225098,
Processing time: 0:00:01.887639

Results for the quried mass "58.235397"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O1N1	0.176	4	1	C5,C6,N7,O8
C2O1N1	0.176	4	0	C5,C6,N7,O9
C2O2	0.199	2	0	C5,C6,O8,O9
C5	0.198	2	0	C1,C3,C4,C5,C6
C5	0.198	2	0	C2,C3,C4,C5,C6
C5	0.198	2	0	C1,C2,C3,C4,C5
C4	0.114	10	1	C1,C2,C3,C4