ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003844
RECORD_TITLE: ANILERIDINE; 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$NAME: ANILERIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₈N₂O₂
CH$EXACT_MASS: 352.21508
CH$SMILES: CCOC(=O)C(C2)(CCN(CCc(c3)ccc(N)c3)C2)c(c1)cccc1
CH$IUPAC: InChI=1S/C22H28N2O2/c1-2-26-21(25)22(19-6-4-3-5-7-19)13-16-24(17-14-22)15-12-18-8-10-20(23)11-9-18/h3-11H,2,12-17,23H2,1H3
CH$LINK: COMPTOX DTXSID8022610
CH$LINK: INCHIKEY LKYQLAWMNBFNJT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8944

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$SPLASH: splash10-0002-4490000000-1f331ba53cfcca295590
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  26 0.2 2
  27 0.9 9
  28 1.2 12
  29 0.16 2
  30 1.2 12
  31 1.1 11
  39 1 10
  40 0.01 0
  41 1.8 18
  42 12.4 124
  43 1.5 15
  44 0.16 2
  45 0.4 4
  50 0.2 2
  51 0.7 7
  52 0.06 1
  53 1.1 11
  54 0.8 8
  55 0.7 7
  56 0.19 2
  57 1 10
  58 0.4 4
  59 2.8 28
  60 0.07 1
  61 0.1 1
  62 0.1 1
  63 0.3 3
  64 0.02 0
  65 1.6 16
  66 0.6 6
  67 1 10
  68 0.13 1
  69 1.7 17
  70 1.6 16
  71 0.4 4
  72 0.04 0
  76 0.1 1
  77 4.1 41
  78 1.4 14
  79 0.16 2
  80 0.9 9
  81 1.2 12
  83 0.6 6
  84 0.02 0
  85 0.2 2
  86 1 10
  87 0.1 1
  88 0.03 0
  89 0.6 6
  90 0.4 4
  91 6 60
  92 0.01 0
  93 1.4 14
  94 1.1 11
  95 0.3 3
  96 0.01 0
  97 0.1 1
  98 0.1 1
  99 0.4 4
  100 0.01 0
  101 0.3 3
  102 0.8 8
  103 5.2 52
  104 0.17 2
  105 1.7 17
  106 6.5 65
  107 1.1 11
  111 0.01 0
  112 1.4 14
  113 0.1 1
  114 0.1 1
  115 0.33 3
  116 1.6 16
  117 2.5 25
  118 2.4 24
  119 0.24 2
  120 8.8 88
  121 1.2 12
  126 0.1 1
  127 0.09 1
  128 2 20
  129 2.6 26
  130 1.3 13
  131 0.22 2
  132 0.9 9
  133 0.4 4
  134 0.1 1
  140 0.01 0
  141 0.6 6
  142 0.3 3
  143 1.9 19
  144 0.14 1
  145 1.2 12
  146 0.4 4
  147 0.2 2
  153 0.01 0
  154 0.2 2
  155 0.5 5
  156 0.4 4
  157 0.03 0
  158 2.1 21
  159 0.9 9
  160 0.7 7
  161 0.04 0
  162 0.3 3
  170 0.7 7
  171 1.1 11
  172 0.07 1
  173 2.1 21
  174 2.4 24
  175 0.7 7
  176 0.02 0
  188 0.4 4
  189 0.2 2
  190 3.6 36
  191 0.01 0
  192 0.2 2
  200 0.6 6
  201 0.2 2
  202 0.04 0
  216 0.7 7
  217 0.3 3
  218 7.2 72
  219 0.14 1
  220 0.3 3
  232 0.8 8
  233 0.4 4
  234 0.01 0
  244 1 10
  245 0.6 6
  246 99.99 999
  247 0.18 2
  248 2.4 24
  249 0.4 4
  276 0.2 2
  277 0.14 1
  278 0.8 8
  279 2 20
  280 0.7 7
  281 0.02 0
  307 1 10
  308 0.4 4
  309 0.1 1
  350 0.01 0
  351 0.6 6
  352 0.5 5
  353 0.5 5
  354 0.04 0
  355 0.2 2
//