Phenylalanine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: CE000037

Outputs for Phenylalanine; LC-ESI-ITFT; MS2; CE 45 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000037
Synonyms: Phenylalanine
Total mass: 165.1887
Formula: H11 C9 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: 171.287598,173.552032,180.046921,182.135071,185.691071,
Replicated queried mass peaks: 68.374451, 71.118057, 81.332947, 82.110863, 82.224602, 87.425652, 103.486115, 149.058777, 164.167801,
Processing time: 0:00:02.419286

Results for the quried mass "70.004982"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C2O2N1	0.022	0	0	C8,C9,N10,O11,O12
C3O1N1	0.065	4	0	C6,C8,C9,N10,O11
C3O1N1	0.065	4	0	C6,C8,C9,N10,O12
C4O1	0.085	6	2	C6,C7,C8,C9,O12
C4N1	0.108	8	2	C4,C6,C7,C8,N10
C4N1	0.108	8	2	C5,C6,C7,C8,N10
C3O2	0.042	2	0	C6,C8,C9,O11,O12