ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003742
RECORD_TITLE: 1-ACETYLLYSERGIC ACID DIETHYLAMIDE; 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$NAME: 1-ACETYLLYSERGIC ACID DIETHYLAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₂₇N₃O₂
CH$EXACT_MASS: 365.21033
CH$SMILES: CCN(CC)C(=O)C([H])(C4)C([H])=C(c31)C([H])(N(C)4)Cc(c([H])2)c(c(ccc3)n(C(C)=O)2)1
CH$IUPAC: InChI=1S/C22H27N3O2/c1-5-24(6-2)22(27)16-10-18-17-8-7-9-19-21(17)15(13-25(19)14(3)26)11-20(18)23(4)12-16/h7-10,13,16,20H,5-6,11-12H2,1-4H3/t16-,20-/m1/s1
CH$LINK: INCHIKEY FJOWXGYLIWJFCH-OXQOHEQNSA-N
CH$LINK: COMPTOX DTXSID20186370

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$SPLASH: splash10-0300-2595000000-6a7af9ec7ad0f247450c
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  29 24 240
  30 2 20
  42 12 120
  43 1.6 16
  55 2 20
  56 2 20
  57 1 10
  58 0.03 0
  72 22 220
  73 1 10
  74 3 30
  84 0.01 0
  94 1 10
  100 12 120
  101 1 10
  110 0.01 0
  111 2 20
  115 1 10
  125 1 10
  126 0.01 0
  127 3 30
  128 14 140
  129 1 10
  139 0.01 0
  140 1 10
  150 1 10
  151 5 50
  152 0.07 1
  153 5 50
  154 9 90
  155 2 20
  164 0.01 0
  165 3 30
  166 3 30
  167 11 110
  168 0.03 0
  177 1 10
  178 7 70
  179 7 70
  180 0.12 1
  181 15 150
  182 4 40
  183 1 10
  190 0.02 0
  191 3 30
  192 8 80
  193 5 50
  194 0.03 0
  195 6 60
  196 5 50
  197 1 10
  204 0.01 0
  205 9 90
  206 8 80
  207 20 200
  208 0.09 1
  209 4 40
  210 1 10
  219 5 50
  220 0.06 1
  221 33 330
  222 12 120
  223 24 240
  224 0.04 0
  225 1 10
  233 1 10
  234 1 10
  235 0.01 0
  236 1 10
  237 1 10
  238 8 80
  239 0.02 0
  249 7 70
  250 3 30
  251 2 20
  262 0.03 0
  263 41 410
  264 28 280
  265 14 140
  266 0.04 0
  267 1 10
  277 1 10
  279 3 30
  280 0.01 0
  291 1 10
  292 1 10
  293 2 20
  294 0.01 0
  307 1 10
  321 1 10
  322 11 110
  323 0.03 0
  334 1 10
  336 1 10
  363 1 10
  364 0.01 0
  365 99.99 999
  366 23 230
  367 3 30
//