Processed databases
Atom-Mass pairs
Outputs for 4-Isopropylaniline; 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: SM811601
Synonyms: 4-Isopropylaniline, 4-propan-2-ylaniline
Total mass: 135.2057
Formula: H13 C9 N1
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: 2.0158Out of range queried mass peaks: 147.0916,
Replicated queried mass peaks: 79.0543, 93.0573, 95.0491, 104.062, 119.0857, 121.0886,
Processing time: 0:00:01.060972
Results for the quried mass "94.0651"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C6N1 | 0.069 | 8 | 2 | C3,C4,C5,C6,C8,C9,N10 |
| C7 | 0.089 | 10 | 0 | C1,C2,C3,C4,C6,C7,C8 |
| C7 | 0.089 | 10 | 0 | C1,C2,C3,C4,C5,C7,C8 |