ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010579
RECORD_TITLE: 4-DIMETHYLAMINOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

CH$NAME: 4-DIMETHYLAMINOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.07898
CH$SMILES: CN(C)c(c1)ccc(c1)C(O)=O
CH$IUPAC: InChI=1S/C9H11NO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12)
CH$LINK: CAS 619-84-1
CH$LINK: INCHIKEY YDIYEOMDOWUDTJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7060708

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-02t9-3900000000-2c3d138038a38784bb91
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  15 3.08 31
  27 1.09 11
  28 1.3 13
  38 1.09 11
  39 3.38 34
  42 7.97 80
  43 1.1 11
  44 1.99 20
  45 4.46 45
  50 4.8 48
  51 5.25 53
  52 1.6 16
  53 1.06 11
  62 1.14 11
  63 4.45 45
  64 1.57 16
  65 6.32 63
  66 1.28 13
  69 2.43 24
  74 3.32 33
  75 2.95 30
  76 3.47 35
  77 9.49 95
  78 4.23 42
  79 2.97 30
  90 2 20
  91 3.05 31
  92 1.85 19
  93 1.15 12
  103 1.37 14
  104 5.78 58
  105 4.54 45
  118 4.52 45
  119 2.91 29
  120 3.29 33
  121 2.22 22
  132 3.89 39
  148 15.21 152
  149 6.49 65
  150 1.64 16
  162 1.07 11
  164 99.99 999
  165 90.6 906
  166 10.34 103
//