ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-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$SMILES: CCN(CC)C(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
CH$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
CH$LINK: COMPTOX DTXSID1023231
CH$LINK: INCHIKEY VAYOSLLFUXYJDT-RDTXWAMCSA-N
CH$LINK: PUBCHEM CID:5761

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
//