ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006681
RECORD_TITLE: 2-(N-ACETYL-2-ACETOXYETHYLAMINO)TOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 2-(N-ACETYL-2-ACETOXYETHYLAMINO)TOLUENE
CH$NAME: 2-(N-ACETYL-2-ACETOXYETHYLAMINO)-1-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₁₇NO₃
CH$EXACT_MASS: 235.12084
CH$SMILES: CC(=O)OCCN(C(C)=O)c(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C13H17NO3/c1-10-6-4-5-7-13(10)14(11(2)15)8-9-17-12(3)16/h4-7H,8-9H2,1-3H3
CH$LINK: INCHIKEY ICTRVJDZFDRVOX-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-00mo-5900000000-8713130f40ee293479a9
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  41 2 20
  43 99.99 999
  44 2 20
  51 0.35 4
  63 2 20
  65 15.5 155
  68 2 20
  77 0.8 8
  78 3.5 35
  79 2.5 25
  87 32.5 325
  89 0.3 3
  90 2 20
  91 37.5 375
  92 4.5 45
  93 0.2 2
  104 3 30
  105 3 30
  106 8 80
  107 1.95 20
  117 9 90
  118 79 790
  119 10.5 105
  120 9.9 99
  121 36 360
  128 2 20
  132 15 150
  133 6.5 65
  134 14 140
  149 28.5 285
  150 5 50
  160 0.3 3
  162 12 120
  175 98.5 985
  176 15 150
  193 0.5 5
  235 12.5 125
  236 3.5 35
//