Related entries (identical compound): BML80815 PB006145 PB006144 PB006143 CE000162 CE000161 CE000160 BML00710 BML00719 JP007967 BML00701 CE000158 CE000159 BML80817

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

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: 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
Queried mass list: ['60.003', '67.294', '69.985', '72.447', '82.306', '89.556', '95.830', '105.069', '111.052', '115.054', '131.048', '133.065', '141.419', '145.065', '149.347', '155.061', '158.036', '161.059', '170.498', '173.059', '185.023', '189.055', '194.053', '199.040', '201.508', '217.049']

Queried mass	Num. matched formulas	Num. matched fragments
60.002956 (link to fragments)	1	23
67.293816 (link to fragments)	2	21
69.98542 (link to fragments)	1	7
72.446579 (link to fragments)	1	26
82.305611 (link to fragments)	2	44
89.556015 (link to fragments)	2	79
95.829552 (link to fragments)	3	23
105.069077 (link to fragments)	2	48
111.051811 (link to fragments)	4	94
115.053787 (link to fragments)	1	2
131.048203	No match found!	No match found!
133.064606	No match found!	No match found!
141.418579	No match found!	No match found!
145.064545	No match found!	No match found!
149.34668	No match found!	No match found!
155.060883	No match found!	No match found!
158.035675	No match found!	No match found!
161.059296	No match found!	No match found!
170.497528	No match found!	No match found!
173.059311	No match found!	No match found!
185.022797	No match found!	No match found!
189.05452	No match found!	No match found!
194.053024 (link to fragments)	1	2
199.039551 (link to fragments)	2	3
201.507629 (link to fragments)	2	3
217.049103 (link to fragments)	1	1