MassBank Record: JP002815



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

ACCESSION: JP002815
RECORD_TITLE: NARCOTINE; 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$NAME: NARCOTINE CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H23NO7 CH$EXACT_MASS: 413.14745 CH$SMILES: COc(c5)c(OC)c(C(=O)4)c(c5)C([H])(O4)C([H])(N(C)3)c(c(CC3)1)c(OC)c(O2)c(OC2)c1 CH$IUPAC: InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
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-6690000000-eb22e6a1457516efbef3 PK$NUM_PEAK: 169 PK$PEAK: m/z int. rel.int. 25 0.2 2 26 1.4 14 27 2.4 24 28 1.61 16 29 2.7 27 30 2 20 31 0.9 9 32 0.32 3 35 0.9 9 36 4.1 41 37 1 10 38 0.17 2 39 4.9 49 40 1 10 41 4.9 49 42 0.08 1 43 2.9 29 44 5.4 54 45 0.8 8 49 0.04 0 50 2.9 29 51 6.1 61 52 2 20 53 0.21 2 54 0.8 8 55 3.4 34 56 1.4 14 57 0.31 3 58 0.9 9 59 0.4 4 60 0.4 4 61 0.09 1 62 2 20 63 4.1 41 64 2.2 22 65 0.41 4 66 1.7 17 67 2.1 21 68 0.9 9 69 0.18 2 70 1.8 18 71 1.4 14 72 0.2 2 73 0.09 1 74 1.8 18 75 2.7 27 76 3.1 31 77 0.92 9 78 4.7 47 79 3.9 39 80 1.4 14 81 0.02 0 82 1 10 83 1.4 14 84 0.9 9 85 0.11 1 86 0.4 4 87 0.2 2 88 0.4 4 89 0.03 0 90 2.9 29 91 5.2 52 92 3 30 93 0.24 2 94 1.7 17 95 2 20 96 0.9 9 97 0.12 1 98 0.4 4 99 0.1 1 100 0.2 2 101 0.04 0 102 1.8 18 103 1.4 14 104 2.6 26 105 0.05 1 106 2.6 26 107 2.9 29 108 1.2 12 109 0.01 0 110 0.2 2 111 0.1 1 113 0.1 1 114 0.02 0 115 1 10 116 1.3 13 117 2.6 26 118 0.59 6 119 5.4 54 120 5 50 121 4.2 42 122 0.04 0 123 1.4 14 124 0.2 2 125 0.1 1 127 0.02 0 128 0.4 4 129 0.9 9 130 1.8 18 131 0.19 2 132 2.1 21 133 2.6 26 134 2 20 135 0.29 3 136 1.4 14 137 0.4 4 142 0.1 1 143 0.02 0 144 0.4 4 145 1.4 14 146 2 20 147 0.97 10 148 6 60 149 4 40 150 3.1 31 151 0.12 1 152 0.4 4 153 0.2 2 157 0.2 2 158 0.22 2 159 1.4 14 160 1.6 16 161 1.1 11 162 0.14 1 163 4.6 46 164 1.1 11 165 5.9 59 166 0.01 0 167 0.4 4 168 0.2 2 173 0.4 4 174 0.14 1 175 1.9 19 176 5.7 57 177 5 50 178 0.84 8 179 1.8 18 180 0.2 2 185 0.7 7 186 0.04 0 187 0.4 4 188 2.2 22 189 1.4 14 190 0.16 2 191 1.2 12 192 0.9 9 193 2.6 26 194 0.41 4 195 1.1 11 196 0.2 2 197 0.2 2 202 0.04 0 203 4.9 49 204 2.8 28 205 24.7 247 206 0.42 4 207 1.2 12 208 0.2 2 209 0.2 2 210 0.01 0 211 0.4 4 217 0.8 8 218 5 50 219 0.03 0 220 99.99 999 221 18.2 182 222 2.6 26 223 0.09 1 413 0.2 2 //