Related entries (identical compound): PR100380 OUF00048 PR100830 GLS00153 KO001124 KO001122 KO001123 KO001120 KO001121

Submission id: OUF00048

Outputs for 3-Hydroxy-3-methylglutaric acid; GC-EI-TOF; MS; n TMS; RT:597.699 sec

Database: Engineering department, Osaka Univ.
Entry ID: OUF00048
Synonyms: 3-Hydroxy-3-Methylglutarate, 3-Hydroxy-3-methylglutaric acid
Total mass: 162.1402
Formula: H10 C6 O5

Structure file (with ALATIS unique atom labels)

Experimental information

MS type: MS
Instrument: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
Instrument type: GC-EI-TOF
Ionization mode: POSITIVE

CAMP general report:

Acceptable mass threshold: 2.0158
Out of range queried mass peaks: 169.0,172.0,175.0,183.0,186.0,189.0,192.0,197.0,200.0,203.0,206.0,215.0,218.0,221.0,229.0,232.0,235.0,244.0,247.0,250.0,257.0,271.0,274.0,277.0,288.0,319.0,322.0,362.0,365.0,
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, 126.0, 127.0, 129.0, 130.0, 132.0, 133.0, 135.0, 136.0, 139.0, 141.0, 142.0, 144.0, 145.0, 147.0, 148.0, 150.0, 151.0, 153.0, 156.0, 157.0, 159.0, 160.0, 162.0, 163.0, 165.0, 166.0, 170.0, 171.0, 173.0, 174.0, 176.0, 177.0, 184.0, 185.0, 187.0, 188.0, 190.0, 191.0, 193.0, 194.0, 198.0, 199.0, 201.0, 202.0, 204.0, 205.0, 207.0, 208.0, 216.0, 217.0, 219.0, 222.0, 223.0, 230.0, 231.0, 233.0, 234.0, 245.0, 246.0, 248.0, 249.0, 251.0, 258.0, 259.0, 272.0, 273.0, 275.0, 276.0, 320.0, 321.0, 363.0, 364.0, 366.0,
Processing time: 0:00:01.821367
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', '125.000', '128.000', '131.000', '134.000', '137.000', '140.000', '143.000', '146.000', '149.000', '152.000', '155.000', '158.000', '161.000', '164.000']

Queried mass	Num. matched formulas	Num. matched fragments
85.0 (link to fragments)	2	12
88.0 (link to fragments)	2	8
91.0 (link to fragments)	1	10
94.0	No match found!	No match found!
97.0 (link to fragments)	1	2
100.0 (link to fragments)	1	2
103.0 (link to fragments)	1	2
106.0	No match found!	No match found!
109.0 (link to fragments)	1	2
112.0 (link to fragments)	1	2
115.0 (link to fragments)	1	2
118.0 (link to fragments)	1	2
121.0	No match found!	No match found!
125.0	No match found!	No match found!
128.0	No match found!	No match found!
131.0	No match found!	No match found!
134.0	No match found!	No match found!
137.0 (link to fragments)	1	5
140.0 (link to fragments)	2	6
143.0 (link to fragments)	2	6
146.0 (link to fragments)	2	6
149.0 (link to fragments)	1	1
152.0 (link to fragments)	1	1
155.0 (link to fragments)	1	1
158.0 (link to fragments)	1	1
161.0 (link to fragments)	1	1
164.0 (link to fragments)	1	1