Related entries (identical compound): OUF00289 GLS00033 GLS00034 OUF00290 KO001318 KO001315 KO001317 KO001316 MT000053

Submission id: GLS00034

Outputs for Ketovaline; EI-B; MS; Scan 1477; RT: 357.33 s

Database: GL Sciences Inc.
Entry ID: GLS00034
Synonyms: Ketovaline
Total mass: 116.1149
Formula: H8 C5 O3

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: GCMS-2010 Plus, Shimadzu
Instrument type: EI-B
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 118.15,121.1,124.1,127.1,130.05,133.0,138.0,140.1,142.15,145.1,148.1,152.1,155.1,158.1,161.1,164.1,167.1,170.05,173.0,176.0,179.0,182.0,185.1,188.0,191.0,194.0,197.0,200.0,202.05,205.1,208.1,211.1,214.1,217.1,220.1,223.1,226.1,229.1,233.1,236.1,240.1,243.1,246.1,249.1,252.1,255.1,258.1,261.1,264.1,267.1,270.1,273.1,277.1,281.1,284.1,287.1,290.1,293.1,297.1,300.1,303.1,306.1,309.1,312.1,315.1,319.1,322.1,325.1,328.1,331.1,334.1,337.1,340.1,344.1,347.1,350.1,354.1,357.1,361.1,364.1,368.1,371.1,374.1,377.1,380.1,386.1,389.1,392.1,395.1,398.1,401.1,405.1,409.1,412.1,415.1,418.1,421.1,424.1,428.1,431.1,435.1,438.1,441.1,445.1,448.1,451.1,454.1,457.1,461.1,464.1,467.1,470.1,474.1,478.1,481.1,484.1,487.1,490.1,494.1,497.1,
Replicated queried mass peaks: 87.0, 89.05, 90.05, 92.0, 93.0, 95.0, 97.0, 99.05, 100.1, 102.0, 103.0, 105.1, 106.1, 108.1, 109.1, 111.0, 112.05, 114.1, 116.0, 117.05, 119.1, 120.1, 122.1, 123.1, 125.1, 126.1, 128.05, 129.1, 131.05, 132.0, 134.0, 135.0, 139.0, 141.1, 143.1, 144.15, 146.1, 147.1, 149.1, 150.1, 153.1, 154.1, 156.1, 157.1, 159.1, 162.1, 163.1, 165.1, 166.1, 168.1, 169.1, 171.0, 172.0, 174.05, 175.0, 177.0, 178.0, 181.0, 184.0, 186.05, 187.05, 189.0, 190.0, 193.0, 195.0, 198.0, 199.0, 201.0, 203.05, 204.05, 207.1, 209.1, 210.1, 213.1, 215.1, 216.1, 218.1, 219.1, 221.1, 222.1, 224.1, 225.1, 227.1, 230.1, 231.1, 234.1, 237.1, 238.1, 241.1, 242.1, 244.1, 245.1, 247.1, 248.1, 250.1, 253.1, 254.1, 256.1, 257.1, 259.1, 260.1, 262.1, 263.1, 265.1, 266.1, 268.1, 271.1, 272.1, 278.1, 279.1, 282.1, 285.1, 286.1, 288.1, 291.1, 294.1, 295.1, 298.1, 299.1, 301.1, 302.1, 304.1, 305.1, 307.1, 308.1, 310.1, 311.1, 313.1, 314.1, 316.1, 317.1, 321.1, 323.1, 324.1, 326.1, 327.1, 329.1, 330.1, 333.1, 336.1, 339.1, 341.1, 342.1, 345.1, 346.1, 348.1, 351.1, 352.1, 355.1, 356.1, 359.1, 362.1, 363.1, 365.1, 366.1, 369.1, 370.1, 372.1, 375.1, 378.1, 379.1, 381.1, 382.1, 387.1, 388.1, 390.1, 394.1, 396.1, 399.1, 400.1, 402.1, 403.1, 406.1, 410.1, 411.1, 414.1, 416.1, 417.1, 419.1, 420.1, 422.1, 423.1, 426.1, 429.1, 430.1, 432.1, 433.1, 436.1, 439.1, 443.1, 446.1, 447.1, 449.1, 450.1, 452.1, 453.1, 455.1, 456.1, 458.1, 459.1, 463.1, 465.1, 466.1, 468.1, 469.1, 472.1, 475.1, 476.1, 479.1, 480.1, 482.1, 483.1, 485.1, 488.1, 489.1, 491.1, 492.1, 495.1, 498.1, 499.1,
Processing time: 0:00:00.776801
Queried mass list: ['85.950', '88.150', '91.050', '94.000', '96.050', '98.100', '101.050', '104.100', '107.100', '110.100', '113.000', '115.100']

Queried mass	Num. matched formulas	Num. matched fragments
85.95	No match found!	No match found!
88.15	No match found!	No match found!
91.05 (link to fragments)	1	3
94.0 (link to fragments)	1	3
96.05 (link to fragments)	2	5
98.1 (link to fragments)	2	5
101.05 (link to fragments)	2	5
104.1	No match found!	No match found!
107.1 (link to fragments)	1	1
110.1 (link to fragments)	1	1
113.0 (link to fragments)	1	1
115.1 (link to fragments)	1	1