Bergapten; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+

Outputs for Bergapten; LC-ESI-ITFT; MS2; CE 35 eV; [M+H]+

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000158
Synonyms: Bergapten
Total mass: 216.1892
Formula: H8 C12 O4

Structure file (with ALATIS unique atom labels)

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: 226.49585,236.681595,
Replicated queried mass peaks: 60.199467, 99.774223, 106.287399, 106.412018, 117.069473, 133.063858, 145.064453, 173.059433, 189.054672, 202.025894, 202.341263, 216.697327, 217.049194, 217.584747, 218.052353,
Processing time: 0:00:03.059370
Queried mass list: ['56.172', '58.484', '66.140', '68.883', '73.814', '75.937', '85.265', '97.875', '100.139', '105.910', '111.744', '115.054', '117.869', '131.049', '143.049', '150.174', '158.036', '161.059', '171.055', '174.031', '188.452', '201.710', '216.469']

Queried mass	Num. matched formulas	Num. matched fragments
56.17202 (link to fragments)	1	2
58.483875 (link to fragments)	2	24
66.14016 (link to fragments)	2	40
68.882942 (link to fragments)	2	8
73.81353 (link to fragments)	1	26
75.937393 (link to fragments)	2	80
85.265236 (link to fragments)	1	25
97.875282 (link to fragments)	3	21
100.138748 (link to fragments)	2	97
105.909691 (link to fragments)	2	7
111.74398 (link to fragments)	1	2
115.05381 (link to fragments)	1	2
117.869492 (link to fragments)	1	2
131.048889	No match found!	No match found!
143.048752	No match found!	No match found!
150.174316	No match found!	No match found!
158.035995	No match found!	No match found!
161.059265	No match found!	No match found!
171.054764	No match found!	No match found!
174.030777	No match found!	No match found!
188.451874	No match found!	No match found!
201.709839 (link to fragments)	2	3
216.468567 (link to fragments)	1	1