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

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

Database: MPI for Chemical Ecology, Jena, Germany
Entry ID: CE000159
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:
Replicated queried mass peaks: 76.971733, 82.496254, 115.053749, 121.151566, 133.208145, 145.064484, 161.878036, 173.059341, 175.39238, 202.025772, 202.337418, 217.397736, 218.052399,
Processing time: 0:00:02.947963
Queried mass list: ['63.011', '70.069', '76.581', '81.797', '87.262', '95.912', '105.070', '113.955', '117.069', '120.011', '131.049', '133.065', '143.049', '147.378', '155.060', '158.036', '161.059', '171.054', '174.031', '189.054', '199.042', '201.714', '209.095', '217.049']

Queried mass	Num. matched formulas	Num. matched fragments
63.01091 (link to fragments)	2	60
70.069305 (link to fragments)	2	30
76.580811 (link to fragments)	2	64
81.796906 (link to fragments)	1	23
87.262421 (link to fragments)	2	108
95.912209 (link to fragments)	3	24
105.069756 (link to fragments)	2	5
113.954964	No match found!	No match found!
117.069389 (link to fragments)	1	2
120.011024 (link to fragments)	2	3
131.048676 (link to fragments)	2	3
133.064529 (link to fragments)	2	3
143.048691	No match found!	No match found!
147.378021	No match found!	No match found!
155.06012	No match found!	No match found!
158.036163	No match found!	No match found!
161.059311	No match found!	No match found!
171.054077	No match found!	No match found!
174.031036	No match found!	No match found!
189.054489	No match found!	No match found!
199.042465 (link to fragments)	2	13
201.713593 (link to fragments)	2	13
209.094849 (link to fragments)	1	1
217.049088 (link to fragments)	1	1