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: SM882201
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: 79.0542, 93.0574, 95.0491, 104.062, 119.0855, 121.0886,
Processing time: 0:00:01.093940
Results for the quried mass "117.0699"
| Formula | Mass differences | Num. used protons | Num. required extra protons | Atom names |
| C8N1 | 0.078 | 7 | 0 | C1,C2,C4,C5,C6,C7,C8,C9,N10 |
| C8N1 | 0.078 | 7 | 0 | C1,C2,C3,C5,C6,C7,C8,C9,N10 |
| C8N1 | 0.078 | 7 | 0 | C1,C2,C3,C4,C6,C7,C8,C9,N10 |
| C8N1 | 0.078 | 7 | 0 | C1,C2,C3,C4,C5,C7,C8,C9,N10 |
| C8N1 | 0.078 | 7 | 0 | C2,C3,C4,C5,C6,C7,C8,C9,N10 |
| C8N1 | 0.078 | 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 |