ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005865
RECORD_TITLE: PARA-PHENETIDINE; 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$NAME: PARA-PHENETIDINE
CH$NAME: 4-AMINOPHENETOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)ccc(N)c1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY IMPPGHMHELILKG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0025864

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-4900000000-a69b6fc77ec780acbebe
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  26 2.5 25
  27 8.75 88
  28 6.56 66
  29 3.75 38
  30 1.88 19
  38 1.56 16
  39 7.19 72
  41 2.5 25
  50 1.25 13
  51 2.81 28
  52 8.75 88
  53 13.13 131
  54 4.38 44
  61 1.88 19
  62 1.25 13
  63 2.81 28
  64 2.5 25
  65 8.13 81
  66 1.56 16
  78 1.25 13
  79 1.88 19
  80 34.06 341
  81 6.56 66
  82 1.56 16
  91 1.25 13
  92 3.13 31
  108 99.99 999
  109 65.94 659
  110 4.69 47
  136 1.25 13
  137 70.94 709
  138 6.56 66
//