Processed databases
Atom-Mass pairs
Related entries (identical compound):
PR100196
PR100602
KO001639
KO001640
KO003753
KO003757
KO003756
KO003755
KO003754
KO001638
KO001636
KO001637
JP006258
OUF00436
KZ000070
PR010229
Outputs for Pyridoxine; GC-EI-TOF; MS; n TMS; RT:728.720 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF00436
Synonyms: Pyridoxine
Total mass: 169.1774
Formula: H11 C8 O3 N1
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: 172.0,175.0,178.0,181.0,184.0,188.0,191.0,194.0,197.0,202.0,205.0,208.0,211.0,218.0,221.0,224.0,232.0,235.0,238.0,241.0,248.0,251.0,254.0,264.0,267.0,278.0,281.0,284.0,287.0,290.0,293.0,296.0,299.0,326.0,354.0,369.0,372.0,
Replicated queried mass peaks: 86.0, 87.0, 89.0, 90.0, 92.0, 93.0, 95.0, 96.0, 98.0, 99.0, 101.0, 102.0, 104.0, 105.0, 107.0, 108.0, 110.0, 111.0, 113.0, 114.0, 116.0, 117.0, 119.0, 120.0, 122.0, 123.0, 125.0, 126.0, 128.0, 129.0, 131.0, 132.0, 134.0, 135.0, 137.0, 138.0, 140.0, 141.0, 143.0, 144.0, 146.0, 147.0, 149.0, 150.0, 152.0, 153.0, 155.0, 156.0, 158.0, 159.0, 161.0, 162.0, 164.0, 165.0, 167.0, 168.0, 170.0, 171.0, 173.0, 174.0, 176.0, 177.0, 179.0, 180.0, 182.0, 183.0, 186.0, 189.0, 190.0, 192.0, 193.0, 195.0, 196.0, 198.0, 203.0, 204.0, 206.0, 207.0, 209.0, 210.0, 219.0, 220.0, 222.0, 223.0, 225.0, 226.0, 234.0, 236.0, 237.0, 239.0, 240.0, 249.0, 250.0, 252.0, 253.0, 255.0, 256.0, 265.0, 266.0, 268.0, 269.0, 279.0, 280.0, 282.0, 283.0, 285.0, 286.0, 288.0, 289.0, 291.0, 292.0, 294.0, 295.0, 297.0, 298.0, 327.0, 328.0, 370.0, 371.0, 373.0,
Processing time: 0:00:02.246480
Queried mass list: ['85.000', '88.000', '91.000', '94.000', '97.000', '100.000', '103.000', '106.000', '109.000', '112.000', '115.000', '118.000', '121.000', '124.000', '127.000', '130.000', '133.000', '136.000', '139.000', '142.000', '145.000', '148.000', '151.000', '154.000', '157.000', '160.000', '163.000', '166.000', '169.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 85.0 (link to fragments) | 3 | 7 |
| 88.0 (link to fragments) | 3 | 11 |
| 91.0 (link to fragments) | 2 | 3 |
| 94.0 (link to fragments) | 2 | 3 |
| 97.0 (link to fragments) | 2 | 3 |
| 100.0 (link to fragments) | 1 | 2 |
| 103.0 | No match found! | No match found! |
| 106.0 (link to fragments) | 1 | 2 |
| 109.0 (link to fragments) | 2 | 3 |
| 112.0 (link to fragments) | 2 | 3 |
| 115.0 (link to fragments) | 2 | 3 |
| 118.0 (link to fragments) | 1 | 2 |
| 121.0 (link to fragments) | 2 | 3 |
| 124.0 (link to fragments) | 2 | 3 |
| 127.0 (link to fragments) | 2 | 3 |
| 130.0 (link to fragments) | 2 | 4 |
| 133.0 (link to fragments) | 3 | 5 |
| 136.0 (link to fragments) | 3 | 5 |
| 139.0 (link to fragments) | 3 | 5 |
| 142.0 (link to fragments) | 4 | 6 |
| 145.0 (link to fragments) | 3 | 6 |
| 148.0 (link to fragments) | 3 | 6 |
| 151.0 (link to fragments) | 3 | 6 |
| 154.0 (link to fragments) | 3 | 6 |
| 157.0 (link to fragments) | 3 | 3 |
| 160.0 (link to fragments) | 1 | 1 |
| 163.0 (link to fragments) | 1 | 1 |
| 166.0 (link to fragments) | 1 | 1 |
| 169.0 (link to fragments) | 1 | 1 |