Leucine; LC-ESI-ITFT; MS2; CE 45.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000687

Outputs for Leucine; LC-ESI-ITFT; MS2; CE 45.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000687
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: 190.506989,209.879135,214.034103,226.300278,259.850128,281.434662,291.567749,299.227753,
Replicated queried mass peaks: 86.09639, 132.101746, 191.767258, 299.231964,
Processing time: 0:00:01.526874

Results for the quried mass "75.734718"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C5N1	0.341	2	0	C1,C2,C3,C4,C5,N7
C2O2N1	0.340	6	2	O9,C5,C6,N7,O8