Bergapten; LC-ESI-ITFT; MS; [M+H]+; isotope pattern

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: CE000162

Outputs for Bergapten; LC-ESI-ITFT; MS; [M+H]+; isotope pattern

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000162
Synonyms: Bergapten
Total mass: 216.1892
Formula: H8 C12 O4

Experimental information

MS type: MS
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: 220.057083,
Replicated queried mass peaks: 218.052887, 219.054764,
Processing time: 0:00:00.387352

Results for the quried mass "217.049896"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C12O4	0.147	9	1	C1,C2,C3,C4,C5,C6,C7,C8,C9,C10,C11,C12,O13,O14,O15,O16