Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Submission id: EQ367206

Outputs for Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 90; R=35000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ367206
Synonyms: Diethyl-phthalate, Diethyl phthalate, Diethyl benzene-1,2-dicarboxylate
Total mass: 222.2366
Formula: H14 C12 O4

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: 53.0021, 55.0179, 65.0385, 68.997, 80.0256, 121.0396, 122.0366,
Processing time: 0:00:02.238878

Results for the quried mass "98.0361"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C4O3	0.021	2	2	C9,C10,C11,C12,O13,O14,O15
C4O3	0.021	2	2	C9,C10,C11,C12,O13,O15,O16
C4O3	0.021	2	2	C9,C10,C11,C12,O13,O14,O16
C4O3	0.021	2	2	C9,C10,C11,C12,O14,O15,O16
C8	0.065	2	0	C5,C6,C7,C8,C9,C10,C11,C12
C5O2	0.064	6	0	C2,C4,C8,C10,C12,O14,O16
C5O2	0.064	6	0	C1,C3,C7,C9,C11,O13,O15