ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005953
RECORD_TITLE: PHENYLURETHAN; CI-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$NAME: PHENYLURETHAN
CH$NAME: PHENYLCARBAMIC ACID ETHYL ESTER
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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014l-3900000000-fefdb8a0297a975a4672
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  77 8.12 81
  78 1.9 19
  79 3.07 31
  91 5.07 51
  92 11.29 113
  93 54.17 542
  94 7.07 71
  104 1.99 20
  105 1.41 14
  106 40.06 401
  107 2.95 30
  119 9.18 92
  120 18.66 187
  137 3.87 39
  138 11.6 116
  165 99.99 999
  166 19.19 192
  167 1.41 14
//