Diethyl phthalate; LC-ESI-QFT; MS2; CE: 35 NCE; R=35000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

Home
Processed databases
Atom-Mass pairs

Submission id: SM835301

Outputs for Diethyl phthalate; 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: SM835301
Synonyms: 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:
Processing time: 0:00:01.815740

Results for the quried mass "177.0546"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C10O3	0.122	9	0	C2,C4,C5,C6,C7,C8,C9,C10,C11,C12,O13,O14,O16
C10O3	0.122	9	0	C1,C3,C5,C6,C7,C8,C9,C10,C11,C12,O13,O14,O15
C9O4	0.079	5	0	C1,C2,C3,C4,C7,C9,C10,C11,C12,O13,O14,O15,O16
C9O4	0.079	5	0	C1,C2,C3,C4,C8,C9,C10,C11,C12,O13,O14,O15,O16