ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003104
RECORD_TITLE: MEPHENOXALONE TREPIDONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: MEPHENOXALONE TREPIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₃NO₄
CH$EXACT_MASS: 223.08446
CH$SMILES: COc(c2)c(ccc2)OCC(C1)OC(=O)N1
CH$IUPAC: InChI=1S/C11H13NO4/c1-14-9-4-2-3-5-10(9)15-7-8-6-12-11(13)16-8/h2-5,8H,6-7H2,1H3,(H,12,13)
CH$LINK: INCHIKEY ZMNSRFNUONFLSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023255

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-8910000000-e3415068da48afc84e9d
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  38 2.9 29
  39 7.3 73
  40 2 20
  41 0.88 9
  42 7.1 71
  43 5.9 59
  44 5.2 52
  45 0.12 1
  50 4.8 48
  51 8.9 89
  52 12.9 129
  53 0.43 4
  54 2.9 29
  55 4.3 43
  56 8.9 89
  57 0.05 1
  58 3.2 32
  62 1.7 17
  63 5.1 51
  64 0.53 5
  65 9.5 95
  66 1.8 18
  67 3.1 31
  68 0.05 1
  69 2.7 27
  70 3 30
  71 2.1 21
  72 0.04 0
  74 1.6 16
  75 1.2 12
  76 1.9 19
  77 2.09 21
  78 3.9 39
  79 3.6 36
  80 4.5 45
  81 1.04 10
  82 1.7 17
  83 1 10
  86 2.1 21
  91 0.17 2
  92 6.6 66
  93 3.7 37
  94 2.1 21
  95 1.29 13
  96 2.5 25
  97 1.4 14
  98 1 10
  99 0.01 0
  100 3.2 32
  107 2.5 25
  108 3.6 36
  109 4.06 41
  110 4.5 45
  111 1.6 16
  121 4.4 44
  122 1.59 16
  123 14.5 145
  124 99.99 999
  125 9.5 95
  126 0.17 2
  135 1.9 19
  136 0.1 1
  137 8.3 83
  138 0.52 5
  139 1.2 12
  148 2 20
  149 1.9 19
  223 6.94 69
  224 9.9 99
  225 1.9 19
//