ACCESSION: MSBNK-RIKEN-PR010193
RECORD_TITLE: Benzocaine; GC-EI-TOF; MS; 1 TMS; BP:222
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$NAME: Benzocaine
CH$NAME: Ethyl aminobenzoate
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOC(=O)c(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3
CH$LINK: CAS 94-09-7
CH$LINK: KEGG C07527
CH$LINK: NIKKAJI J4.690F
CH$LINK: PUBCHEM 9730
CH$LINK: INCHIKEY BLFLLBZGZJTVJG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021804

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$CHROMATOGRAPHY: RETENTION_INDEX 1786
AC$CHROMATOGRAPHY: RETENTION_TIME 471.364 sec

MS$FOCUSED_ION: BASE_PEAK 222
MS$FOCUSED_ION: DERIVATIVE_FORM C12H19NO2Si
MS$FOCUSED_ION: DERIVATIVE_MASS 237.11851
MS$FOCUSED_ION: DERIVATIVE_TYPE 1 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dl-0980000000-9bd6d020be04ce49bd3e
PK$NUM_PEAK: 102
PK$PEAK: m/z int. rel.int.
  63 14 14
  64 12 12
  70 6 6
  72 6 6
  73 166 166
  82 1 1
  96 1 1
  99 3 3
  102 5 5
  122 3 3
  124 1 1
  130 4 4
  131 3 3
  132 10 10
  133 17 17
  134 44 44
  136 11 11
  138 5 5
  141 1 1
  142 1 1
  143 4 4
  145 1 1
  146 28 28
  147 6 6
  148 141 141
  149 325 325
  150 253 253
  151 22 22
  152 4 4
  154 1 1
  155 1 1
  160 11 11
  162 63 63
  163 46 46
  164 34 34
  165 15 15
  166 43 43
  167 11 11
  168 3 3
  169 2 2
  170 4 4
  172 1 1
  174 4 4
  175 1 1
  176 255 255
  177 36 36
  178 53 53
  179 14 14
  180 5 5
  185 1 1
  187 2 2
  190 5 5
  192 417 417
  193 89 89
  194 263 263
  195 61 61
  196 9 9
  197 3 3
  199 2 2
  203 1 1
  204 5 5
  206 3 3
  207 4 4
  208 3 3
  209 45 45
  210 13 13
  212 1 1
  215 1 1
  217 2 2
  220 4 4
  221 4 4
  222 999 999
  223 146 146
  224 36 36
  225 5 5
  226 3 3
  228 3 3
  231 3 3
  234 1 1
  236 8 8
  237 628 628
  238 128 128
  239 13 13
  243 5 5
  244 2 2
  245 4 4
  247 1 1
  248 1 1
  250 3 3
  252 2 2
  253 2 2
  255 1 1
  256 2 2
  257 2 2
  259 2 2
  260 1 1
  261 3 3
  262 1 1
  265 1 1
  268 1 1
  326 1 1
  722 1 1
//