ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002621
RECORD_TITLE: 3-DIMETHYLAMINOBENZOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 3-DIMETHYLAMINOBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: COC(=O)c(c1)cc(cc1)N(C)C
CH$IUPAC: InChI=1S/C10H13NO2/c1-11(2)9-6-4-5-8(7-9)10(12)13-3/h4-7H,1-3H3
CH$LINK: INCHIKEY CABFTHPIDKWPNQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30394449
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-004i-3900000000-32ec3a722f093ab92c1b
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  42 6.3 63
  50 4.1 41
  51 4.8 48
  59 0.33 3
  63 4.8 48
  65 2.6 26
  74 11.2 112
  75 0.26 3
  76 2.9 29
  77 13.8 138
  78 4.8 48
  79 0.44 4
  91 4.4 44
  92 2.9 29
  104 7.1 71
  105 0.52 5
  106 5.6 56
  118 8.9 89
  119 4.1 41
  120 1.61 16
  121 3.7 37
  132 4.1 41
  148 11.2 112
  163 0.26 3
  164 2.9 29
  165 7.4 74
  178 99.99 999
  179 8.65 87
  180 8.9 89
//
