ACCESSION: MSBNK-Kazusa-KZ000207
RECORD_TITLE: Fusaric acid; GC-EI-TOF; MS; 1 TMS; BP:236
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_01498_P000113

CH$NAME: Fusaric acid
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₁₀H₁₃NO₂
CH$EXACT_MASS: 179.09463
CH$SMILES: CCCCc(c1)cnc(c1)C(O)=O
CH$IUPAC: InChI=1S/C10H13NO2/c1-2-3-4-8-5-6-9(10(12)13)11-7-8/h5-7H,2-4H2,1H3,(H,12,13)
CH$LINK: CAS 536-69-6
CH$LINK: KEGG C10146
CH$LINK: INCHIKEY DGMPVYSXXIOGJY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5023085

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$CHROMATOGRAPHY: COLUMN_NAME DB-17MS
AC$CHROMATOGRAPHY: RETENTION_INDEX 1987.2
AC$CHROMATOGRAPHY: RETENTION_TIME 914.312 sec

MS$FOCUSED_ION: BASE_PEAK 236
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-000f-4930000000-bb92f96307f7e41bd107
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  82 12 12
  83 56 56
  84 56 56
  85 24 24
  86 20 20
  87 6 6
  88 7 7
  89 36 36
  90 46 46
  91 946 946
  92 371 371
  93 122 122
  94 28 28
  95 74 74
  96 22 22
  97 16 16
  98 7 7
  99 6 6
  100 8 8
  101 4 4
  102 32 32
  103 35 35
  104 219 219
  105 81 81
  106 203 203
  107 147 147
  108 32 32
  109 25 25
  110 15 15
  111 10 10
  112 2 2
  113 1 1
  114 1 1
  115 25 25
  116 25 25
  117 52 52
  118 55 55
  119 231 231
  120 65 65
  121 31 31
  122 33 33
  123 13 13
  124 7 7
  125 2 2
  127 1 1
  128 2 2
  129 1 1
  130 12 12
  131 7 7
  132 50 50
  133 18 18
  134 249 249
  135 71 71
  136 54 54
  137 13 13
  138 4 4
  139 1 1
  143 1 1
  144 1 1
  145 3 3
  146 10 10
  147 10 10
  148 31 31
  149 512 512
  150 113 113
  151 27 27
  152 6 6
  153 2 2
  158 1 1
  160 6 6
  161 2 2
  162 75 75
  163 24 24
  164 25 25
  165 112 112
  166 24 24
  167 7 7
  168 1 1
  174 2 2
  175 1 1
  176 8 8
  177 2 2
  178 32 32
  179 26 26
  180 34 34
  181 263 263
  182 42 42
  183 13 13
  184 1 1
  188 1 1
  190 3 3
  191 1 1
  192 141 141
  193 512 512
  194 178 178
  195 46 46
  196 8 8
  197 1 1
  204 1 1
  205 13 13
  206 100 100
  207 107 107
  208 95 95
  209 23 23
  210 5 5
  211 2 2
  212 1 1
  218 3 3
  219 1 1
  220 5 5
  221 1 1
  222 13 13
  223 45 45
  224 9 9
  225 3 3
  234 6 6
  235 6 6
  236 999 999
  237 205 205
  238 61 61
  239 8 8
  250 12 12
  251 15 15
  252 3 3
//