ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003871
RECORD_TITLE: DRAMAMINE; 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$NAME: DRAMAMINE
CH$NAME: DIMENHYDRINATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₈ClN₅O₃
CH$EXACT_MASS: 469.18807
CH$SMILES: CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2
CH$IUPAC: InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)
CH$LINK: INCHIKEY NFLLKCVHYJRNRH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025087

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a4i-9100000000-77e89b91771cb8f073b4
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  36 0.1 1
  38 0.2 2
  39 1.6 16
  40 0.07 1
  41 4.1 41
  42 4.1 41
  43 7.7 77
  44 0.57 6
  45 9.4 94
  46 0.1 1
  49 0.1 1
  50 0.07 1
  51 1.3 13
  52 0.3 3
  53 0.8 8
  54 0.05 1
  55 3.7 37
  56 3.3 33
  57 7.7 77
  58 99.99 999
  59 3.9 39
  61 0.1 1
  62 0.7 7
  63 0.09 1
  65 1 10
  67 0.9 9
  68 0.9 9
  69 0.18 2
  70 1.9 19
  71 4.1 41
  72 1.9 19
  73 2.49 25
  74 1.5 15
  75 0.7 7
  76 0.1 1
  77 0.02 0
  78 1 10
  79 0.6 6
  81 0.7 7
  82 0.07 1
  83 1.5 15
  84 1.7 17
  85 2.1 21
  86 0.09 1
  87 0.1 1
  88 0.3 3
  89 0.7 7
  90 0.03 0
  91 1.8 18
  92 0.5 5
  94 0.1 1
  95 0.06 1
  96 0.5 5
  97 1.5 15
  98 1.2 12
  99 0.06 1
  100 0.1 1
  101 0.1 1
  102 0.5 5
  103 0.04 0
  104 0.8 8
  105 2.9 29
  106 0.7 7
  107 0.01 0
  109 0.1 1
  110 0.2 2
  111 0.7 7
  112 0.08 1
  113 0.9 9
  114 0.7 7
  115 1.1 11
  117 0.01 0
  118 0.6 6
  119 1.3 13
  120 0.9 9
  125 0.02 0
  126 0.3 3
  127 0.7 7
  128 0.9 9
  129 0.01 0
  130 0.9 9
  131 0.1 1
  132 0.2 2
  135 0.06 1
  136 0.1 1
  139 0.6 6
  140 0.6 6
  141 0.07 1
  142 0.7 7
  149 0.8 8
  151 0.5 5
  152 0.28 3
  153 0.9 9
  154 0.3 3
  155 0.1 1
  157 0.01 0
  163 0.3 3
  164 0.4 4
  165 5.5 55
  166 0.25 3
  167 6.9 69
  168 3 30
  169 0.8 8
  203 0.01 0
  204 0.8 8
  206 0.5 5
  207 0.1 1
  208 0.01 0
  209 0.3 3
  218 0.9 9
  219 0.3 3
  244 0.2 2
//