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

Outputs for Coumarin; LC-ESI-QQ; MS2; CE:25 eV; [M+H]+


Database: Institute of Plant Biochemistry, Halle, Germany
Entry ID: PB004702
Synonyms: 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: TSQ QUANTUM AM
Instrument type: LC-ESI-QQ
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks:
Replicated queried mass peaks: 42.0, 43.0, 45.0, 57.0, 61.0, 64.0, 65.0, 68.0, 69.0, 71.0, 75.0, 79.0, 92.0, 93.0, 102.0, 103.0, 111.0, 116.0, 128.0, 129.0,
Processing time: 0:00:02.353644
Queried mass list: ['41.000', '44.000', '51.000', '55.000', '60.000', '63.000', '67.000', '70.000', '74.000', '77.000', '81.000', '84.000', '88.000', '91.000', '101.000', '106.000', '110.000', '115.000', '119.000', '124.000', '127.000', '147.000']



Queried massNum. matched formulasNum. matched fragments
41.0 (link to fragments) 2 7
44.0 (link to fragments) 1 1
51.0 (link to fragments) 2 21
55.0 (link to fragments) 2 10
60.0 (link to fragments) 1 15
63.0 (link to fragments) 2 31
67.0 (link to fragments) 2 20
70.0 (link to fragments) 1 4
74.0 (link to fragments) 1 3
77.0 (link to fragments) 2 5
81.0 (link to fragments) 2 6
84.0 (link to fragments) 2 6
88.0 (link to fragments) 2 4
91.0 (link to fragments) 3 9
101.0 (link to fragments) 2 3
106.0 (link to fragments) 2 8
110.0 (link to fragments) 1 4
115.0 (link to fragments) 2 9
119.0 (link to fragments) 2 9
124.0 (link to fragments) 1 2
127.0 (link to fragments) 2 10
147.0 (link to fragments) 1 1


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