MassBank Record: MSBNK-RIKEN-PR010022
ACCESSION: MSBNK-RIKEN-PR010022
RECORD_TITLE: Oxalic acid; GC-EI-TOF; MS; 2 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
CH$NAME: Oxalic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C2H2O4
CH$EXACT_MASS: 89.99531
CH$SMILES: OC(=O)C(O)=O
CH$IUPAC: InChI=1S/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
CH$LINK: CAS
6153-56-6
CH$LINK: NIKKAJI
J99.324G
CH$LINK: INCHIKEY
MUBZPKHOEPUJKR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0025816
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
AC$INSTRUMENT_TYPE: GC-EI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_INDEX 1125.3
AC$CHROMATOGRAPHY: RETENTION_TIME 255.572 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C8H18O4Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 234.07436
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00dj-9500000000-e5db327eab9e8a2f149e
PK$NUM_PEAK: 80
PK$PEAK: m/z int. rel.int.
60 4 4
61 9 9
62 1 1
63 11 11
64 1 1
65 10 10
66 80 80
67 2 2
69 3 3
70 9 9
71 15 15
72 63 63
73 999 999
74 46 46
75 68 68
76 5 5
77 134 134
78 19 19
79 38 38
80 1 1
84 9 9
86 24 24
87 11 11
88 2 2
89 1 1
92 4 4
93 44 44
94 1 1
95 11 11
98 1 1
99 2 2
100 15 15
101 4 4
102 17 17
103 16 16
105 1 1
107 1 1
108 2 2
110 1 1
114 3 3
115 9 9
116 3 3
117 11 11
118 2 2
119 3 3
126 1 1
127 3 3
128 1 1
129 1 1
130 1 1
131 38 38
132 4 4
133 32 32
134 4 4
135 5 5
144 1 1
145 1 1
146 6 6
147 712 712
148 50 50
158 2 2
161 1 1
172 2 2
173 1 1
174 5 5
175 10 10
176 4 4
190 23 23
191 5 5
196 1 1
197 1 1
217 1 1
218 32 32
219 16 16
233 2 2
542 1 1
588 1 1
734 1 1
770 1 1
795 1 1
//