Suberic acid; EI-B; MS; 2 TMS; RT: 682.90 s

Computational Annotation of MS Peaks (CAMP)

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Atom-Mass pairs

Submission id: GLS00131

Outputs for Suberic acid; EI-B; MS; 2 TMS; RT: 682.90 s

Database: GL Sciences Inc.
Entry ID: GLS00131
Synonyms: Suberic acid, Cork acid
Total mass: 174.1938
Formula: H14 C8 O4

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: 179.0,182.0,185.0,187.05,190.0,192.9,195.9,198.9,201.05,204.0,207.0,210.05,213.0,216.0,219.0,222.0,225.0,228.0,231.0,234.0,237.0,240.0,243.0,246.0,249.0,252.0,255.0,258.0,261.0,264.0,267.0,270.0,273.0,276.0,279.0,282.0,285.0,288.0,292.0,295.0,298.0,301.0,303.05,306.0,309.0,312.0,315.0,318.0,321.0,324.0,328.0,331.0,334.0,337.0,340.0,344.0,347.0,350.0,353.0,356.0,359.0,365.0,368.0,371.0,374.0,377.0,380.0,383.0,386.0,389.0,393.0,397.0,400.0,403.0,406.0,409.0,412.0,416.0,420.0,423.0,426.0,429.0,433.0,436.0,439.0,443.0,446.0,449.0,452.0,455.0,458.0,461.0,464.0,467.0,470.0,473.0,476.0,479.0,483.0,486.0,489.0,492.0,495.0,498.0,
Replicated queried mass peaks: 87.05, 88.0, 90.0, 91.05, 93.05, 94.05, 96.05, 97.05, 99.05, 100.05, 102.0, 104.0, 105.0, 107.0, 109.1, 110.1, 112.1, 113.05, 115.05, 116.0, 118.05, 119.05, 121.05, 122.1, 124.1, 125.1, 127.1, 128.0, 130.05, 131.05, 133.05, 134.05, 136.0, 138.05, 139.1, 141.1, 142.05, 144.1, 145.05, 147.05, 148.05, 150.05, 151.05, 153.0, 154.0, 156.05, 157.05, 159.1, 160.1, 162.1, 163.1, 165.1, 166.1, 168.15, 169.1, 171.05, 172.05, 174.05, 175.0, 177.0, 178.0, 180.0, 181.0, 183.0, 184.0, 186.05, 188.0, 189.0, 191.0, 191.95, 193.9, 194.9, 196.9, 197.9, 200.05, 202.0, 203.0, 205.0, 206.0, 208.0, 209.0, 211.0, 212.0, 214.0, 214.95, 217.0, 218.0, 220.0, 221.0, 223.0, 224.0, 226.0, 227.0, 229.05, 230.0, 232.0, 233.0, 235.0, 239.0, 241.0, 242.0, 244.0, 245.0, 247.0, 248.0, 250.0, 251.0, 253.0, 254.0, 257.0, 259.0, 260.0, 262.0, 263.0, 265.0, 266.0, 268.0, 269.0, 271.0, 272.0, 274.0, 275.0, 277.0, 278.0, 280.0, 281.0, 283.0, 286.0, 287.0, 290.0, 293.0, 294.0, 296.0, 297.0, 299.0, 300.0, 302.0, 304.0, 305.0, 307.0, 310.0, 311.0, 313.0, 316.0, 319.0, 320.0, 322.0, 325.0, 326.0, 329.0, 330.0, 332.0, 333.0, 335.0, 336.0, 338.0, 339.0, 341.0, 342.0, 346.0, 348.0, 349.0, 351.0, 354.0, 355.0, 358.0, 360.0, 361.0, 366.0, 367.0, 369.0, 370.0, 372.0, 375.0, 376.0, 379.0, 381.0, 384.0, 385.0, 388.0, 390.0, 391.0, 394.0, 395.0, 398.0, 401.0, 402.0, 404.0, 405.0, 407.0, 413.0, 414.0, 418.0, 421.0, 422.0, 424.0, 427.0, 428.0, 430.0, 434.0, 435.0, 437.0, 438.0, 440.0, 441.0, 444.0, 445.0, 447.0, 448.0, 450.0, 451.0, 453.0, 454.0, 456.0, 457.0, 459.0, 460.0, 462.0, 463.0, 465.0, 468.0, 469.0, 471.0, 472.0, 474.0, 475.0, 477.0, 478.0, 480.0, 481.0, 484.0, 485.0, 487.0, 488.0, 490.0, 493.0, 497.0, 499.0,
Processing time: 0:00:02.268379

Results for the quried mass "114.1"

Formula	Mass differences	Num. used protons	Num. required extra protons	Atom names
C6O2	0.042	10	0	C1,C2,C3,C4,C6,C8,O11,O12
C6O2	0.042	10	0	C1,C2,C3,C4,C5,C7,O9,O10
C7O2	0.042	2	0	C1,C2,C3,C4,C5,C6,C8,O11,O12
C7O2	0.042	2	0	C1,C2,C3,C4,C5,C6,C7,O9,O10