Valine; LC-ESI-ITFT; MS2; CE 80.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000572

Outputs for Valine; LC-ESI-ITFT; MS2; CE 80.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000572
Synonyms: Valine
Total mass: 117.1459
Formula: H11 C5 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: 299.217255,
Replicated queried mass peaks:
Processing time: 0:00:00.753503

Results for the quried mass "72.080887"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O2N1	0.038	2	0	C4,C5,N6,O7,O8
C4N1	0.048	10	0	C1,C2,C3,C4,N6