Related entries (identical compound): GLS00133 KO001651 KO001652 KO001653 KO001654 KO001655 JP003896 OUF00263

Submission id: GLS00133

Outputs for Pimelic acid; EI-B; MS; 2 TMS; RT: 635.95 s

Database: GL Sciences Inc.
Entry ID: GLS00133
Synonyms: Pimelic acid, Heptanedioate
Total mass: 160.1673
Formula: H12 C7 O4

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: 165.1,168.1,171.05,174.05,177.0,180.0,183.0,185.05,188.1,191.1,194.1,197.1,200.0,203.0,206.0,209.0,212.0,214.05,217.05,220.0,223.0,226.0,229.0,232.0,235.0,238.0,241.0,244.0,247.0,250.0,253.0,256.0,259.0,262.0,265.0,269.0,272.0,275.0,278.0,281.0,284.0,287.0,289.05,291.1,294.1,297.1,300.1,303.1,306.1,309.1,313.1,316.1,319.1,323.1,326.1,329.1,333.1,336.1,339.1,343.1,346.1,349.1,352.1,355.1,358.1,361.1,364.1,367.1,370.1,373.1,376.1,379.1,383.1,386.1,389.1,392.1,395.1,399.1,402.1,405.1,408.1,411.1,415.1,418.1,421.1,424.1,427.1,431.1,434.1,437.1,441.1,444.1,447.1,451.1,454.1,457.1,460.1,463.1,467.1,470.1,473.1,476.1,479.1,483.1,486.1,489.1,492.1,495.1,498.1,
Replicated queried mass peaks: 87.0, 88.05, 90.0, 91.0, 93.0, 94.0, 96.1, 97.05, 99.05, 100.0, 102.0, 103.0, 105.0, 106.0, 108.0, 109.0, 112.0, 114.1, 115.0, 117.05, 118.05, 120.1, 122.1, 123.1, 125.05, 127.1, 128.0, 130.05, 131.05, 133.05, 134.0, 136.0, 138.0, 139.0, 141.0, 143.05, 144.1, 146.1, 147.05, 149.0, 151.1, 152.1, 154.1, 155.1, 157.1, 158.05, 160.1, 161.1, 163.1, 164.1, 166.1, 167.1, 169.1, 170.05, 172.05, 173.05, 175.05, 176.0, 178.0, 179.0, 181.0, 182.0, 184.0, 186.05, 187.05, 189.1, 190.1, 192.1, 193.1, 195.1, 196.1, 198.0, 199.0, 201.0, 202.0, 204.0, 205.0, 207.0, 208.0, 210.0, 213.0, 214.95, 216.0, 218.05, 219.0, 221.0, 222.0, 224.0, 225.0, 230.0, 231.0, 233.0, 234.0, 236.0, 237.0, 239.0, 240.0, 243.0, 245.05, 246.0, 248.0, 249.0, 251.0, 254.0, 255.0, 257.0, 258.0, 260.0, 261.0, 263.0, 264.0, 266.0, 267.0, 270.0, 271.0, 273.0, 274.0, 276.0, 277.0, 279.0, 280.0, 282.0, 283.0, 285.0, 286.0, 288.0, 290.05, 292.1, 293.1, 295.1, 296.1, 298.1, 299.1, 301.1, 302.1, 304.1, 305.1, 307.1, 310.1, 311.1, 314.1, 315.1, 317.1, 318.1, 320.1, 321.1, 324.1, 327.1, 328.1, 331.1, 334.1, 335.1, 337.1, 338.1, 340.1, 341.1, 344.1, 345.1, 347.1, 348.1, 350.1, 351.1, 353.1, 357.1, 359.1, 360.1, 362.1, 365.1, 368.1, 369.1, 372.1, 374.1, 377.1, 378.1, 380.1, 381.1, 384.1, 387.1, 388.1, 391.1, 393.1, 394.1, 397.1, 400.1, 403.1, 404.1, 406.1, 407.1, 409.1, 410.1, 412.1, 413.1, 417.1, 419.1, 420.1, 422.1, 423.1, 426.1, 428.1, 429.1, 432.1, 433.1, 435.1, 436.1, 438.1, 439.1, 443.1, 446.1, 448.1, 449.1, 453.1, 455.1, 456.1, 459.1, 461.1, 464.1, 465.1, 468.1, 469.1, 471.1, 472.1, 474.1, 475.1, 477.1, 478.1, 480.1, 481.1, 484.1, 485.1, 487.1, 488.1, 490.1, 493.1, 494.1, 496.1,
Processing time: 0:00:01.931278
Queried mass list: ['86.050', '89.050', '92.000', '95.100', '98.100', '101.050', '104.000', '107.000', '111.000', '113.100', '116.050', '119.050', '121.100', '124.050', '126.100', '129.050', '132.050', '135.000', '137.050', '140.000', '142.100', '145.100', '148.050', '150.100', '153.100', '156.050', '159.100', '162.100']

Queried mass	Num. matched formulas	Num. matched fragments
86.05 (link to fragments)	4	11
89.05 (link to fragments)	3	7
92.0 (link to fragments)	1	2
95.1 (link to fragments)	1	2
98.1 (link to fragments)	1	2
101.05 (link to fragments)	1	2
104.0 (link to fragments)	1	2
107.0 (link to fragments)	1	2
111.0 (link to fragments)	1	2
113.1 (link to fragments)	1	2
116.05 (link to fragments)	1	2
119.05	No match found!	No match found!
121.1	No match found!	No match found!
124.05	No match found!	No match found!
126.1	No match found!	No match found!
129.05	No match found!	No match found!
132.05 (link to fragments)	1	4
135.0 (link to fragments)	1	4
137.05 (link to fragments)	1	4
140.0 (link to fragments)	1	4
142.1 (link to fragments)	1	4
145.1 (link to fragments)	1	4
148.05 (link to fragments)	1	1
150.1 (link to fragments)	1	1
153.1 (link to fragments)	1	1
156.05 (link to fragments)	1	1
159.1 (link to fragments)	1	1
162.1 (link to fragments)	1	1