ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009761
RECORD_TITLE: PHENYLURETHANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PHENYLURETHANE
CH$NAME: ETHYL N-PHENYLCARBAMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₁NO₂
CH$EXACT_MASS: 165.07898
CH$SMILES: CCOC(=O)Nc(c1)cccc1
CH$IUPAC: InChI=1S/C9H11NO2/c1-2-12-9(11)10-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,10,11)
CH$LINK: INCHIKEY LBKPGNUOUPTQKA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0059243

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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05mo-9800000000-2a247cd6fdda03ea6b03
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39 4.17 42
  41 1.07 11
  45 3.59 36
  46 1.5 15
  51 1.86 19
  52 1.12 11
  63 3.33 33
  64 10.1 101
  65 21.34 213
  66 13.27 133
  67 1.63 16
  77 10.33 103
  78 1.64 16
  79 4.7 47
  80 1.06 11
  90 1.25 13
  91 20.24 202
  92 20.51 205
  93 99.99 999
  94 7.93 79
  104 1.21 12
  105 1.32 13
  106 70.38 704
  107 6.74 67
  119 32.44 324
  120 11.27 113
  121 1.32 13
  136 1.25 13
  137 4.01 40
  165 70.91 709
  166 7.49 75
//