MassBank Record: JP004099



 RACEMETHORPHAN; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP004099
RECORD_TITLE: RACEMETHORPHAN; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., 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$LINK: INCHIKEY MKXZASYAUGDDCJ-CGTJXYLNSA-N
AC$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 //