4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: UF414502

Outputs for 4-Isopropylaniline; LC-ESI-ITFT; MS2; CE: 80; R=15000; [M+H]+

Database: Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
Entry ID: UF414502
Synonyms: 4-Isopropylaniline, 4-Propan-2-ylaniline
Total mass: 135.2057
Formula: H13 C9 N1

Experimental information

MS type: MS2
Instrument: LTQ Orbitrap XL Thermo Scientific
Instrument type: LC-ESI-ITFT
Ionization: ESI
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 147.0924,
Replicated queried mass peaks: 93.0578, 104.0625, 105.0338, 119.086, 121.0891,
Processing time: 0:00:01.195085

Results for the quried mass "117.0704"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C8N1	0.077	7	0	C1,C2,C4,C5,C6,C7,C8,C9,N10
C8N1	0.077	7	0	C1,C2,C3,C5,C6,C7,C8,C9,N10
C8N1	0.077	7	0	C1,C2,C3,C4,C6,C7,C8,C9,N10
C8N1	0.077	7	0	C1,C2,C3,C4,C5,C7,C8,C9,N10
C8N1	0.077	7	0	C2,C3,C4,C5,C6,C7,C8,C9,N10
C8N1	0.077	7	0	C1,C3,C4,C5,C6,C7,C8,C9,N10
C9	0.097	9	0	C1,C2,C3,C4,C5,C6,C7,C8,C9