MassBank Record: JP002800



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

ACCESSION: JP002800
RECORD_TITLE: LSD; 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$NAME: LSD CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H25N3O CH$EXACT_MASS: 323.19976 CH$SMILES: CCN(CC)C(=O)C(C4)C=C(c31)C([H])(N(C)4)Cc(c2)c(c(ccc3)n2)1 CH$IUPAC: InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,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-2974000000-f1e2685ff289086cda8e PK$NUM_PEAK: 150 PK$PEAK: m/z int. rel.int. 52 0.4 4 53 0.9 9 54 1 10 55 0.52 5 56 4.9 49 57 5 50 58 4.5 45 59 0.01 0 63 0.2 2 64 0.2 2 65 0.4 4 66 0.02 0 67 0.4 4 68 0.4 4 69 1 10 70 0.21 2 71 4.1 41 72 21.1 211 73 1.9 19 74 0.24 2 75 1 10 76 3.5 35 77 3.4 34 78 0.01 0 79 0.4 4 83 0.1 1 84 0.2 2 85 0.04 0 86 0.7 7 87 0.6 6 88 0.4 4 89 0.01 0 90 0.4 4 91 0.5 5 92 0.4 4 93 0.02 0 94 0.1 1 98 0.1 1 99 0.2 2 100 0.95 10 101 1.4 14 102 0.4 4 103 0.3 3 104 0.02 0 105 1.2 12 106 1.4 14 107 0.4 4 108 0.21 2 109 2.1 21 110 2.1 21 111 8.4 84 112 0.12 1 113 1.1 11 114 0.4 4 115 0.2 2 116 0.01 0 124 1.1 11 125 3.2 32 126 2 20 127 0.64 6 128 12 120 129 2.1 21 130 2.4 24 131 0.02 0 132 0.1 1 138 0.4 4 139 3.1 31 140 0.42 4 141 1.2 12 142 0.1 1 143 0.2 2 147 0.04 0 148 1.1 11 149 14.2 142 150 4.2 42 151 0.74 7 152 12 120 153 8.4 84 154 14.2 142 155 0.34 3 156 0.4 4 158 0.2 2 159 0.1 1 160 0.01 0 161 0.1 1 162 0.2 2 163 2.1 21 164 0.14 1 165 5.2 52 166 4.7 47 167 14.5 145 168 0.51 5 169 1.2 12 170 0.4 4 175 0.4 4 176 0.12 1 177 2.6 26 178 8.4 84 179 9.6 96 180 1.72 17 181 41.1 411 182 9 90 183 2.6 26 190 0.21 2 191 3.8 38 192 9.2 92 193 4.7 47 194 0.04 0 195 5.1 51 196 17.9 179 197 2.9 29 204 0.04 0 205 10.2 102 206 7.1 71 207 29.2 292 208 0.14 1 209 3.1 31 210 1.2 12 211 0.4 4 212 0.02 0 213 0.1 1 218 1.2 12 219 3.8 38 220 0.69 7 221 64.9 649 222 36.2 362 223 32.6 326 224 0.59 6 225 1.8 18 239 1.2 12 240 0.4 4 241 0.21 2 242 0.4 4 243 0.2 2 244 0.1 1 265 0.19 2 266 1 10 267 0.2 2 278 0.2 2 279 0.21 2 280 4.5 45 281 1.2 12 282 0.4 4 321 0.01 0 322 2.1 21 323 99.99 999 324 22.1 221 325 0.24 2 326 1 10 327 0.1 1 //