ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005864
RECORD_TITLE: ORTHO-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$NAME: ORTHO-PHENETIDINE
CH$NAME: 2-AMINOPHENETOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₁NO
CH$EXACT_MASS: 137.08406
CH$SMILES: CCOc(c1)c(N)ccc1
CH$IUPAC: InChI=1S/C8H11NO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2,9H2,1H3
CH$LINK: INCHIKEY ULHFFAFDSSHFDA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5025863

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$SPLASH: splash10-0a4i-7900000000-c61614886173dc01579a
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  15 1.04 10
  26 2.35 24
  27 12.27 123
  28 7.31 73
  29 4.44 44
  30 1.83 18
  38 2.35 24
  39 8.88 89
  40 1.57 16
  41 3.39 34
  42 1.83 18
  50 3.13 31
  51 6.01 60
  52 10.71 107
  53 17.23 172
  54 4.18 42
  62 1.04 10
  63 3.66 37
  64 3.39 34
  65 10.97 110
  66 2.09 21
  77 1.04 10
  78 2.61 26
  79 2.61 26
  80 69.71 697
  81 6.53 65
  91 2.61 26
  92 6.27 63
  93 2.61 26
  94 1.57 16
  108 99.99 999
  109 65.54 655
  110 4.44 44
  122 1.83 18
  136 1.04 10
  137 74.15 742
  138 7.05 71
//