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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010816

N-ACETYL-META-TOLUIDINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010816
RECORD_TITLE: N-ACETYL-META-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-META-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H11NO
CH$EXACT_MASS: 149.08406
CH$SMILES: CC(=O)Nc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY ALMHSXDYCFOZQD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024412

AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-0a4i-2900000000-cee4cfdfa2d602953d16
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42 1.24 12
  43 19.81 198
  50 1.41 14
  51 3.25 33
  52 2.33 23
  53 1.77 18
  63 1.82 18
  65 3.2 32
  77 8.75 88
  78 3.06 31
  79 5.42 54
  80 1.64 16
  89 1 10
  90 1.25 13
  91 3.67 37
  104 1.42 14
  106 36.83 368
  107 99.99 999
  108 8.68 87
  149 35.84 358
  150 3.74 37
//

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