Proline; LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000633

Outputs for Proline; LC-ESI-ITFT; MS2; CE 5.0 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000633
Synonyms: Proline
Total mass: 115.1301
Formula: H9 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:
Replicated queried mass peaks: 116.064384, 116.066574, 116.067162, 116.070442, 116.07296, 116.074722, 116.075668, 116.077515,
Processing time: 0:00:00.731315

Results for the quried mass "70.065247"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C3O2	0.019	2	0	C2,C4,C5,O7,O8
C4N1	0.047	8	0	C1,C2,C3,C4,N6
C2O2N1	0.038	0	0	C4,C5,N6,O7,O8