ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010369
RECORD_TITLE: LYCORINE DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: LYCORINE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁NO₆
CH$EXACT_MASS: 371.13689
CH$SMILES: CC(=O)OC(C=5)C(OC(C)=O)C([H])(c21)C([H])(C45)N(CC4)Cc(cc(O3)c(OC3)c2)1
CH$IUPAC: InChI=1S/C20H21NO6/c1-10(22)26-17-5-12-3-4-21-8-13-6-15-16(25-9-24-15)7-14(13)18(19(12)21)20(17)27-11(2)23/h5-7,17-20H,3-4,8-9H2,1-2H3/t17-,18-,19+,20+/m0/s1
CH$LINK: INCHIKEY LMZHAKUXAHOCST-VNTMZGSJSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0udi-1192000000-b29bd9463a42dc4ba223
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  43 42.35 424
  77 3.43 34
  89 3.82 38
  91 3.08 31
  96 7.14 71
  115 3.07 31
  147 5.11 51
  154 3.45 35
  166 3.06 31
  167 3.89 39
  191 3.52 35
  192 6.61 66
  193 4.82 48
  194 10.75 108
  210 3.41 34
  211 4.38 44
  212 3.54 35
  222 16.25 163
  223 3.77 38
  224 3.61 36
  226 29.18 292
  227 16.93 169
  228 3.2 32
  238 5.98 60
  240 3.74 37
  250 48.66 487
  251 15.76 158
  252 99.99 999
  253 22.55 226
  254 4.02 40
  266 5.34 53
  268 15.94 159
  269 6.92 69
  270 3.38 34
  310 6.59 66
  311 27.55 276
  312 12.45 125
  370 3.56 36
  371 20.25 203
  372 9.59 96
//