ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010368
RECORD_TITLE: LYCORINE; 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$NAME: LYCORINE
CH$NAME: 3,12-DIDEHYDRO-9,10-(METHYLENEBIS(OXY))GALANTHAN-1,2-DIOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₇NO₄
CH$EXACT_MASS: 287.11576
CH$SMILES: [H]C(C([H])(O)1)=C(C5)C([H])(N(C5)2)C([H])(c(c3)c(cc(O4)c(OC4)3)C2)C([H])(O)1
CH$IUPAC: InChI=1S/C16H17NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15+,16+/m0/s1
CH$LINK: INCHIKEY XGVJWXAYKUHDOO-DANNLKNASA-N
CH$LINK: COMPTOX DTXSID60197208

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$SPLASH: splash10-004i-0090000000-274d3c11040a07d7fbe3
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  65 5.58 56
  82 5.81 58
  89 5.2 52
  91 0.63 6
  96 6.84 68
  111 13.18 132
  119 8.25 83
  135 5.14 51
  147 13.09 131
  226 99.99 999
  227 92.11 921
  228 16.05 161
  240 5.65 57
  250 14.73 147
  252 6.74 67
  256 7.05 71
  268 28.23 282
  269 8.58 86
  270 9.28 93
  286 29.07 291
  287 46.51 465
  288 8.58 86
//