ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009903
RECORD_TITLE: METHYL 2,5-DICHLORO-3-AMINOBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2,5-DICHLORO-3-AMINOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₇Cl₂NO₂
CH$EXACT_MASS: 218.98538
CH$SMILES: COC(=O)c(c1)c(Cl)c(N)cc(Cl)1
CH$IUPAC: InChI=1S/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3
CH$LINK: INCHIKEY DTSSCQVCVYZGSI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1041762

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-02gc-1940000000-83e89845d4db1ada099f
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  28 1.3 13
  38 1.3 13
  41 1.2 12
  52 2.7 27
  60 1.2 12
  61 3.5 35
  62 7 70
  63 7 70
  64 1 10
  65 2.5 25
  73 4 40
  74 1.3 13
  75 1.8 18
  88 2.3 23
  89 4 40
  90 6 60
  94 4.2 42
  95 2.9 29
  96 1.5 15
  97 8.8 88
  98 1.8 18
  99 4 40
  124 25.3 253
  125 6.7 67
  126 9.8 98
  127 2.2 22
  133 5.7 57
  135 3.3 33
  154 1.6 16
  159 1 10
  160 34.1 341
  161 13.7 137
  162 22.3 223
  163 8.5 85
  164 3.6 36
  165 1.2 12
  169 1.8 18
  188 99.99 999
  189 9 90
  190 64.5 645
  191 5.5 55
  192 10.2 102
  219 94 940
  220 9 90
  221 60 600
  222 6.3 63
  223 9.7 97
//