Processed databases
Atom-Mass pairs
Outputs for Protocatechuic acid; GC-EI-TOF; MS; n TMS; RT:697.109 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00045
Synonyms: 3,4-dihydroxybenzoate, Protocatechuic acid
Total mass: 154.1199
Formula: H6 C7 O4
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MSInstrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 157.0,161.0,164.0,167.0,177.0,180.0,183.0,189.0,192.0,195.0,205.0,208.0,211.0,221.0,224.0,235.0,238.0,251.0,265.0,268.0,279.0,282.0,297.0,310.0,313.0,354.0,357.0,369.0,372.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 95.0, 96.0, 98.0, 99.0, 102.0, 103.0, 105.0, 106.0, 108.0, 109.0, 111.0, 112.0, 115.0, 117.0, 118.0, 120.0, 121.0, 123.0, 124.0, 127.0, 131.0, 133.0, 134.0, 136.0, 137.0, 139.0, 145.0, 147.0, 148.0, 150.0, 151.0, 153.0, 159.0, 162.0, 163.0, 165.0, 166.0, 168.0, 178.0, 179.0, 181.0, 182.0, 191.0, 193.0, 194.0, 196.0, 197.0, 206.0, 207.0, 209.0, 210.0, 212.0, 222.0, 223.0, 225.0, 226.0, 237.0, 239.0, 253.0, 266.0, 267.0, 269.0, 280.0, 281.0, 283.0, 284.0, 311.0, 312.0, 314.0, 315.0, 355.0, 356.0, 358.0, 370.0, 371.0, 373.0, 374.0,
Processing time: 0:00:01.812724
Queried mass list: ['85.000', '88.000', '91.000', '94.000', '97.000', '101.000', '104.000', '107.000', '110.000', '113.000', '116.000', '119.000', '122.000', '126.000', '129.000', '132.000', '135.000', '138.000', '143.000', '146.000', '149.000', '152.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 85.0 (link to fragments) | 2 | 5 |
| 88.0 | No match found! | No match found! |
| 91.0 (link to fragments) | 1 | 2 |
| 94.0 (link to fragments) | 1 | 2 |
| 97.0 (link to fragments) | 2 | 3 |
| 101.0 (link to fragments) | 1 | 1 |
| 104.0 (link to fragments) | 1 | 1 |
| 107.0 (link to fragments) | 2 | 3 |
| 110.0 (link to fragments) | 2 | 3 |
| 113.0 (link to fragments) | 1 | 2 |
| 116.0 | No match found! | No match found! |
| 119.0 (link to fragments) | 1 | 2 |
| 122.0 (link to fragments) | 1 | 2 |
| 126.0 (link to fragments) | 2 | 3 |
| 129.0 (link to fragments) | 1 | 1 |
| 132.0 (link to fragments) | 1 | 4 |
| 135.0 (link to fragments) | 2 | 7 |
| 138.0 (link to fragments) | 2 | 7 |
| 143.0 (link to fragments) | 1 | 3 |
| 146.0 | No match found! | No match found! |
| 149.0 (link to fragments) | 1 | 1 |
| 152.0 (link to fragments) | 1 | 1 |