Related entries (identical compound): OUF00044 KZ000174 PR010219

Submission id: PR010219

Outputs for 3,4-Dihydroxyphenylacetic acid; GC-EI-TOF; MS; 3 TMS; BP:73

Database: Plant Science Center, RIKEN
Entry ID: PR010219
Synonyms: 3,4-Dihydroxyphenylacetic acid, 3,4-Dihydroxyphenyl acetate, 3,4-Dihydroxyphenyl acetic acid, 3,4-Dihydroxyphenylacetate, Homoprotocatechuate
Total mass: 168.1464
Formula: H8 C8 O4

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: 175.0,178.0,181.0,191.0,194.0,206.0,209.0,221.0,225.0,235.0,238.0,251.0,254.0,265.0,268.0,281.0,340.0,369.0,383.0,386.0,
Replicated queried mass peaks: 61.0, 62.0, 64.0, 65.0, 67.0, 70.0, 71.0, 73.0, 74.0, 76.0, 77.0, 79.0, 82.0, 83.0, 85.0, 88.0, 89.0, 91.0, 92.0, 95.0, 99.0, 102.0, 103.0, 105.0, 106.0, 109.0, 116.0, 117.0, 119.0, 120.0, 123.0, 132.0, 133.0, 135.0, 136.0, 147.0, 149.0, 150.0, 162.0, 163.0, 165.0, 176.0, 177.0, 179.0, 180.0, 182.0, 192.0, 193.0, 195.0, 207.0, 210.0, 223.0, 226.0, 236.0, 237.0, 239.0, 252.0, 253.0, 266.0, 267.0, 269.0, 270.0, 282.0, 341.0, 342.0, 370.0, 371.0, 384.0, 385.0, 387.0,
Processing time: 0:00:02.512328
Queried mass list: ['60.000', '63.000', '66.000', '69.000', '72.000', '75.000', '78.000', '81.000', '84.000', '87.000', '90.000', '93.000', '97.000', '101.000', '104.000', '107.000', '111.000', '115.000', '118.000', '121.000', '131.000', '134.000', '137.000', '145.000', '148.000', '151.000', '161.000', '164.000']

Queried mass	Num. matched formulas	Num. matched fragments
60.0 (link to fragments)	2	15
63.0 (link to fragments)	2	26
66.0 (link to fragments)	2	18
69.0 (link to fragments)	2	14
72.0 (link to fragments)	2	13
75.0 (link to fragments)	2	31
78.0 (link to fragments)	2	29
81.0 (link to fragments)	2	25
84.0 (link to fragments)	2	10
87.0 (link to fragments)	2	27
90.0	No match found!	No match found!
93.0 (link to fragments)	1	3
97.0 (link to fragments)	1	3
101.0	No match found!	No match found!
104.0 (link to fragments)	1	2
107.0 (link to fragments)	2	3
111.0 (link to fragments)	2	3
115.0 (link to fragments)	2	2
118.0 (link to fragments)	1	1
121.0 (link to fragments)	2	3
131.0 (link to fragments)	1	2
134.0 (link to fragments)	1	2
137.0 (link to fragments)	2	3
145.0 (link to fragments)	1	4
148.0 (link to fragments)	2	7
151.0 (link to fragments)	2	7
161.0 (link to fragments)	1	1
164.0 (link to fragments)	1	1