ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009585
RECORD_TITLE: N-ACETYL-PARA-TOLUIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: N-ACETYL-PARA-TOLUIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO
CH$EXACT_MASS: 149.08406
CH$SMILES: CC(=O)Nc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H11NO/c1-7-3-5-9(6-4-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)
CH$LINK: INCHIKEY YICAMJWHIUMFDI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6024414

AC$INSTRUMENT: JEOL JMS-AX-505-H
AC$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$SPLASH: splash10-0a4i-2900000000-b6a3a5d1998b02f25806
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  27 1.75 18
  39 3.52 35
  43 14.87 149
  50 2.11 21
  51 5.14 51
  52 3.63 36
  53 2.7 27
  63 2.14 21
  65 2.81 28
  77 14.08 141
  78 5.46 55
  79 7.47 75
  80 1.63 16
  89 1.07 11
  91 3.08 31
  104 2.73 27
  105 1.15 12
  106 71.92 719
  107 99.99 999
  108 8.84 88
  149 58.95 590
  150 6.85 69
//