MassBank Record: JP009539

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N,N-DIMETHYL-META-TOLUIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP009539
RECORD_TITLE: N,N-DIMETHYL-META-TOLUIDINE; 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$NAME: N,N-DIMETHYL-META-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13N
CH$EXACT_MASS: 135.10480000000001155058271251618862152099609375
CH$SMILES: CN(C)c(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
CH$LINK: CAS 121-72-2
CH$LINK: COMPTOX DTXSID9051618
CH$LINK: INCHIKEY CWOMTHDOJCARBY-UHFFFAOYSA-N

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$SPLASH: splash10-001r-1900000000-b1df3d8df6cfbec7296c
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  15 1.29 13
  28 1.94 19
  39 2.29 23
  42 3.82 38
  44 1.37 14
  51 1.3 13
  63 1.64 16
  65 5.31 53
  67 1.33 13
  77 3.64 36
  78 1.43 14
  79 1.2 12
  89 1.49 15
  90 1 10
  91 15.25 153
  92 3.02 30
  93 1.55 16
  104 1.06 11
  105 1.85 19
  106 1.22 12
  118 8.99 90
  119 9.02 90
  120 5.82 58
  121 1.6 16
  132 1.37 14
  133 1.43 14
  134 99.99 999
  135 83.93 839
  136 7.39 74
//