Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: EQ367208

Outputs for Diethyl-phthalate; LC-ESI-QFT; MS2; CE: 150; R=35000; [M+H]+

Database: Department of Environmental Chemistry, Eawag
Entry ID: EQ367208
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: 53.0022, 54.01, 65.0386, 68.9971, 93.0335, 121.0396,
Processing time: 0:00:01.924982

Results for the quried mass "111.044"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.074	7	0	C2,C4,C6,C8,C10,C12,O14,O16
C6O2	0.074	7	0	C1,C3,C5,C7,C9,C11,O13,O15
C8O1	0.033	1	0	C3,C5,C6,C7,C8,C9,C10,C11,O15
C8O1	0.033	1	0	C1,C3,C5,C6,C7,C8,C9,C11,O15
C8O1	0.033	1	0	C1,C3,C5,C6,C8,C9,C10,C11,O15
C8O1	0.033	1	0	C3,C5,C6,C7,C9,C10,C11,C12,O15
C8O1	0.033	1	0	C3,C5,C6,C8,C9,C10,C11,C12,O15
C8O1	0.033	1	0	C4,C5,C6,C7,C8,C9,C10,C12,O16
C8O1	0.033	1	0	C2,C4,C5,C6,C7,C8,C10,C12,O16
C8O1	0.033	1	0	C2,C4,C5,C6,C7,C9,C10,C12,O16
C8O1	0.033	1	0	C4,C5,C6,C7,C9,C10,C11,C12,O16
C8O1	0.033	1	0	C4,C5,C6,C8,C9,C10,C11,C12,O16
C8O1	0.033	1	0	C5,C6,C7,C8,C9,C10,C11,C12,O14
C8O1	0.033	1	0	C5,C6,C7,C8,C9,C10,C11,C12,O16
C8O1	0.033	1	0	C5,C6,C7,C8,C9,C10,C11,C12,O13
C8O1	0.033	1	0	C5,C6,C7,C8,C9,C10,C11,C12,O15
C5O3	0.031	3	1	C3,C9,C10,C11,C12,O14,O15,O16
C5O3	0.031	3	1	C3,C9,C10,C11,C12,O13,O14,O15
C5O3	0.031	3	1	C3,C9,C10,C11,C12,O13,O15,O16
C5O3	0.031	3	1	C4,C9,C10,C11,C12,O13,O15,O16
C5O3	0.031	3	1	C4,C9,C10,C11,C12,O13,O14,O16
C5O3	0.031	3	1	C4,C9,C10,C11,C12,O14,O15,O16