Bergapten; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: CE000161

Outputs for Bergapten; LC-ESI-ITFT; MS2; CE 70 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000161
Synonyms: Bergapten
Total mass: 216.1892
Formula: H8 C12 O4

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: 244.618851,
Replicated queried mass peaks: 84.131836, 117.06945, 143.048798, 160.048477, 171.054428, 174.030853, 202.025665, 203.028442, 218.052368,
Processing time: 0:00:03.170785

Results for the quried mass "115.053787"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C7O2	0.012	1	0	C1,C2,C3,C7,C8,C11,C12,O13,O14
C7O2	0.012	1	0	C2,C3,C6,C7,C9,C10,C11,O13,O16