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
//
