Processed databases
Atom-Mass pairs
Related entries (identical compound):
KO001179
KO001178
KO001175
KO001177
KO001176
KZ000231
KZ000232
KZ000233
GLS00013
KNA00041
KNA00042
KNA00043
KO003173
KO003172
KO003176
KO003175
KO003174
KNA00321
KNA00320
KNA00322
PR030010
OUF00312
PR010061
OUF01004
Outputs for L-Isoleucine; GC-EI-QQ; MS; 2 TBDMS; RT:654.3 sec
Database: Engineering department, Osaka Univ.
Entry ID: OUF01004
Synonyms: L-Isoleucine
Total mass: 131.1724
Formula: H13 C6 O2 N1
Structure file (with ALATIS unique atom labels)
Experimental information
MS type: MSInstrument: Agilent 7000B QqQMS, Agilent; Agilent 7894A series GC system, Agilent Technologies
Instrument type: GC-EI-QQ
Ionization mode: POSITIVE
CAMP general report:
Acceptable mass threshold: 2.0158Out of range queried mass peaks: 135.0,142.0,145.0,148.0,156.0,159.0,162.0,170.0,173.0,176.0,184.0,188.0,191.0,198.0,201.0,212.0,216.0,219.0,228.0,244.0,258.0,272.0,275.0,302.0,305.0,316.0,330.0,344.0,
Replicated queried mass peaks: 56.0, 57.0, 59.0, 60.0, 69.0, 74.0, 75.0, 77.0, 80.0, 83.0, 84.0, 86.0, 87.0, 97.0, 98.0, 100.0, 101.0, 103.0, 104.0, 107.0, 113.0, 114.0, 116.0, 117.0, 119.0, 128.0, 130.0, 131.0, 133.0, 134.0, 143.0, 144.0, 147.0, 149.0, 150.0, 157.0, 158.0, 160.0, 161.0, 171.0, 172.0, 174.0, 175.0, 185.0, 186.0, 189.0, 190.0, 200.0, 202.0, 203.0, 217.0, 218.0, 230.0, 245.0, 246.0, 274.0, 276.0, 277.0, 303.0, 304.0, 317.0, 345.0,
Processing time: 0:00:01.863365
Queried mass list: ['55.000', '58.000', '61.000', '68.000', '73.000', '76.000', '79.000', '82.000', '85.000', '88.000', '96.000', '99.000', '102.000', '105.000', '112.000', '115.000', '118.000', '122.000', '126.000', '129.000', '132.000']
| Queried mass | Num. matched formulas | Num. matched fragments |
| 55.0 (link to fragments) | 5 | 10 |
| 58.0 (link to fragments) | 3 | 5 |
| 61.0 (link to fragments) | 2 | 3 |
| 68.0 (link to fragments) | 5 | 10 |
| 73.0 (link to fragments) | 2 | 2 |
| 76.0 (link to fragments) | 2 | 2 |
| 79.0 (link to fragments) | 1 | 1 |
| 82.0 (link to fragments) | 1 | 1 |
| 85.0 (link to fragments) | 1 | 1 |
| 88.0 (link to fragments) | 1 | 1 |
| 96.0 (link to fragments) | 1 | 1 |
| 99.0 (link to fragments) | 1 | 1 |
| 102.0 (link to fragments) | 2 | 3 |
| 105.0 (link to fragments) | 3 | 5 |
| 112.0 (link to fragments) | 3 | 5 |
| 115.0 (link to fragments) | 3 | 5 |
| 118.0 (link to fragments) | 2 | 3 |
| 122.0 (link to fragments) | 1 | 1 |
| 126.0 (link to fragments) | 1 | 1 |
| 129.0 (link to fragments) | 1 | 1 |
| 132.0 (link to fragments) | 1 | 1 |