ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004099
RECORD_TITLE: RACEMETHORPHAN; 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$NAME: RACEMETHORPHAN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₂₅NO
CH$EXACT_MASS: 271.19361
CH$SMILES: COc(c4)cc(c(c4)1)C(C3)(C2)C([H])(CCC3)C(N(C)C2)C1
CH$IUPAC: InChI=1S/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/m0/s1
CH$LINK: INCHIKEY MKXZASYAUGDDCJ-CGTJXYLNSA-N
CH$LINK: COMPTOX DTXSID20872403

AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0ab9-9640000000-22a67aaa9771bdc70ea1
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  30 13.4 134
  31 19.7 197
  41 3.2 32
  42 11.7 117
  43 1.6 16
  44 10.3 103
  55 2.3 23
  57 0.16 2
  58 7.7 77
  59 99.99 999
  60 6.6 66
  67 0.18 2
  70 3.4 34
  77 3 30
  79 1.9 19
  81 0.14 1
  82 4.8 48
  83 1.5 15
  91 3.8 38
  94 0.22 2
  107 1.4 14
  108 1.5 15
  115 6.3 63
  116 0.15 2
  117 1.2 12
  121 3.2 32
  122 2.2 22
  123 0.18 2
  127 2.2 22
  128 6.6 66
  129 4.1 41
  130 0.11 1
  131 1.3 13
  135 2.6 26
  135.5 2.7 27
  136 0.17 2
  141 5.1 51
  142 1.9 19
  143 1.5 15
  144 0.23 2
  145 1.9 19
  146 2.5 25
  147 2.4 24
  148 0.34 3
  150 34.4 344
  151 3.9 39
  152 1.7 17
  153 0.22 2
  154 1.4 14
  155 2.7 27
  156 1.2 12
  157 0.2 2
  158 2.3 23
  159 3.4 34
  160 2.4 24
  161 0.25 3
  162 3.6 36
  165 1.4 14
  169 1.1 11
  170 0.18 2
  171 14.2 142
  172 6.8 68
  173 2 20
  174 0.46 5
  175 3.1 31
  183 1.3 13
  184 2.8 28
  185 0.31 3
  186 1.5 15
  197 1.4 14
  198 1.9 19
  199 0.17 2
  200 1.1 11
  202 1.2 12
  203 7.5 75
  204 0.11 1
  212 8.7 87
  213 9.9 99
  214 20.3 203
  215 0.36 4
  228 2.9 29
  242 3.8 38
  256 3.3 33
  270 2.12 21
  271 38 380
  272 7.8 78
//