MassBank Record: MSBNK-RIKEN-PR010099
ACCESSION: MSBNK-RIKEN-PR010099
RECORD_TITLE: Anthranilic 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$NAME: Anthranilic acid
CH$NAME: Anthranilate
CH$NAME: 2-Aminobenzoate
CH$NAME: Vitamin L1
CH$NAME: o-Aminobenzoic acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C7H7NO2
CH$EXACT_MASS: 137.04768
CH$SMILES: OC(=O)c(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
CH$LINK: CAS
118-92-3
CH$LINK: CHEBI
30754
CH$LINK: CHEMPDB BE2
CH$LINK: KEGG
C00108
CH$LINK: NIKKAJI
J2.912B
CH$LINK: PUBCHEM 3408
CH$LINK: INCHIKEY
RWZYAGGXGHYGMB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8020094
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$CHROMATOGRAPHY: RETENTION_INDEX 1610.4
AC$CHROMATOGRAPHY: RETENTION_TIME 397.356 sec
MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C13H23NO2Si2
MS$FOCUSED_ION: DERIVATIVE_MASS 281.12673
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-00xr-9650000000-e0611721f0bf7b5bb2f8
PK$NUM_PEAK: 147
PK$PEAK: m/z int. rel.int.
60 9 9
61 16 16
62 5 5
63 19 19
64 25 25
65 28 28
66 10 10
67 10 10
69 2 2
70 17 17
71 7 7
72 15 15
73 999 999
74 92 92
75 123 123
76 16 16
77 41 41
78 8 8
79 19 19
80 3 3
81 2 2
82 1 1
83 4 4
84 9 9
85 4 4
86 4 4
87 4 4
88 2 2
89 13 13
90 12 12
91 75 75
92 63 63
93 12 12
94 4 4
95 6 6
96 4 4
97 3 3
98 1 1
99 1 1
100 1 1
101 2 2
102 5 5
103 11 11
104 9 9
105 22 22
106 13 13
107 5 5
108 3 3
109 2 2
110 1 1
111 1 1
113 1 1
115 12 12
116 8 8
117 21 21
118 128 128
119 50 50
120 33 33
121 14 14
122 4 4
123 3 3
124 1 1
126 5 5
128 1 1
129 1 1
130 10 10
131 21 21
132 43 43
133 95 95
134 158 158
135 33 33
136 10 10
137 2 2
143 1 1
144 1 1
145 4 4
146 14 14
147 73 73
148 46 46
149 102 102
150 39 39
151 12 12
152 3 3
156 1 1
158 3 3
159 1 1
160 5 5
161 1 1
162 7 7
163 3 3
164 6 6
165 2 2
172 1 1
174 29 29
175 5 5
176 29 29
177 5 5
178 31 31
179 7 7
180 4 4
181 1 1
188 1 1
190 3 3
191 3 3
192 56 56
193 21 21
194 14 14
195 3 3
196 1 1
202 1 1
204 2 2
205 1 1
206 2 2
207 2 2
208 39 39
209 13 13
210 15 15
211 3 3
212 1 1
218 1 1
220 3 3
221 1 1
222 4 4
223 1 1
224 4 4
225 1 1
232 49 49
233 18 18
234 8 8
235 2 2
236 1 1
248 6 6
249 3 3
250 8 8
251 2 2
252 1 1
264 8 8
265 6 6
266 575 575
267 136 136
268 54 54
269 8 8
270 1 1
280 1 1
281 31 31
282 8 8
283 3 3
//