MassBank Record: PR010099



 Anthranilic acid; GC-EI-TOF; MS; 2 TMS; BP:73 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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
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 //