Processed databases
Atom-Mass pairs
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: 2.0158Out 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 "91.0546"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6N1 | 0.056 | 5 | 0 | C3,C4,C5,C6,C8,C9,N10 |
| C7 | 0.076 | 7 | 0 | C1,C2,C3,C4,C6,C7,C8 |
| C7 | 0.076 | 7 | 0 | C1,C2,C3,C4,C5,C7,C8 |