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

Submission id: BML00719

Outputs for Bergapten; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

Database: Institute of Biological Chemistry, Washington State University
Entry ID: BML00719
Synonyms: Bergapten
Total mass: 216.1892
Formula: H8 C12 O4

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: Agilent 1200 RRLC; Agilent 6520 QTOF
Instrument type: LC-ESI-QTOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 102.0445, 105.0347, 117.0331, 118.0748, 118.0938, 118.1426, 119.0145, 120.0173, 128.025, 129.0314, 146.034, 146.0681, 174.0294,
Processing time: 0:00:02.243980
Queried mass list: ['100.031', '103.051', '115.054', '118.041', '127.018', '131.048', '145.026', '156.019', '173.020', '202.024']

Queried mass	Num. matched formulas	Num. matched fragments
100.0311 (link to fragments)	2	110
103.0511 (link to fragments)	2	95
115.0539 (link to fragments)	1	2
118.041 (link to fragments)	1	2
127.0177	No match found!	No match found!
131.0475	No match found!	No match found!
145.0263	No match found!	No match found!
156.0195	No match found!	No match found!
173.02	No match found!	No match found!
202.0236 (link to fragments)	2	3