Related entries (identical compound): JP001132 BML80987 BML80985 JP009576 PB004701 PB004703 PB004702 BML01366 BML01352 SM817901 FIO00035 FIO00034 JP007406 FIO00037 FIO00036 FIO00033 BML01359

Submission id: SM817901

Outputs for Cumarin; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Database: Critical Assessment of Small Molecule Identification 2016, Mass Spectrometry Society of Japan
Entry ID: SM817901
Synonyms: Cumarin, Coumarin, chromen-2-one
Total mass: 146.1425
Formula: H6 C9 O2

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS2
Instrument: Q Exactive Plus Orbitrap Thermo Scientific
Instrument type: LC-ESI-QFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 103.0542,
Processing time: 0:00:01.451606
Queried mass list: ['77.039', '91.054', '95.049', '102.046', '105.045', '119.049', '147.044']

Queried mass	Num. matched formulas	Num. matched fragments
77.0386 (link to fragments)	2	5
91.0542 (link to fragments)	3	9
95.0491 (link to fragments)	2	6
102.0464 (link to fragments)	2	3
105.0446 (link to fragments)	2	8
119.0492 (link to fragments)	2	9
147.0439 (link to fragments)	1	1