ACCESSION: MSBNK-RIKEN_NPDepo-NGA00316
RECORD_TITLE: Dihydrolycorine; LC-ESI-QQQ; MS2; Frag=135.0V CID@25.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Amaryllidaceae alkaloids, Lycorine alkaloids

CH$NAME: Dihydrolycorine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₆H₁₉NO₄
CH$EXACT_MASS: 289.3341
CH$SMILES: O[C@H]1CC2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O)[C@@H]23)OCO5
CH$IUPAC: InChI=1S/C16H19NO4/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/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8?,11-,14-,15+,16+/m0/s1
CH$LINK: CAS 6271-21-2
CH$LINK: CHEMSPIDER 432333 10050463 28426276
CH$LINK: INCHIKEY VJILFEGOWCJNIK-WIOQNRRMSA-N
CH$LINK: PUBCHEM CID:235311

AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-1290000000-434cac13367659ae26a1
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  67.5 1.39 1
  67.6 2.5 2
  67.7 5.18 5
  67.8 9.07 9
  67.9 12.67 12
  68.0 14.75 14
  68.1 15.07 15
  68.2 13.75 13
  68.3 10.77 10
  68.4 6.63 6
  68.5 2.75 2
  81.6 2.29 2
  81.7 3.62 3
  81.8 5.86 5
  81.9 8.53 8
  82.0 10.6 10
  82.1 11.3 11
  82.2 10.51 10
  82.3 8.48 8
  82.4 5.59 5
  82.5 2.61 2
  111.4 1.66 1
  111.5 2.7 2
  111.6 4.05 4
  111.7 6.49 6
  111.8 10.71 10
  111.9 15.78 15
  112.0 19.56 19
  112.1 20.76 20
  112.2 19.64 19
  112.3 16.6 16
  112.4 11.65 11
  112.5 5.82 5
  112.6 1.38 1
  135.7 2.56 2
  135.8 4.23 4
  135.9 6.25 6
  136.0 7.84 7
  136.1 8.31 8
  136.2 7.59 7
  136.3 6.12 6
  136.4 4.3 4
  136.5 2.4 2
  148.6 2.61 2
  148.7 3.64 3
  148.8 5.13 5
  148.9 6.86 6
  149.0 8.11 8
  149.1 8.2 8
  149.2 7.04 7
  149.3 5.07 5
  149.4 2.91 2
  213.7 1.4 1
  213.8 2.99 2
  213.9 5.08 5
  214.0 6.89 6
  214.1 7.7 7
  214.2 7.27 7
  214.3 5.77 5
  214.4 3.66 3
  253.7 2.4 2
  253.8 4.06 4
  253.9 6.11 6
  254.0 7.78 7
  254.1 8.45 8
  254.2 8.09 8
  254.3 6.81 6
  254.4 4.72 4
  254.5 2.35 2
  271.4 1.88 1
  271.5 3.31 3
  271.6 5.31 5
  271.7 8.75 8
  271.8 14.46 14
  271.9 22.02 21
  272.0 29.63 29
  272.1 35.02 34
  272.2 36.37 36
  272.3 32.76 32
  272.4 24.61 24
  272.5 14.19 14
  272.6 5.04 5
  272.7 0.29 0
  289.2 0.39 0
  289.3 1.72 1
  289.4 4.34 4
  289.5 8.13 8
  289.6 13.78 13
  289.7 23.47 23
  289.8 39.16 39
  289.9 59.66 59
  290.0 80.16 80
  290.1 94.92 94
  290.2 100.0 99
  290.3 93.37 93
  290.4 74.49 74
  290.5 46.79 46
  290.6 19.21 19
  290.7 1.89 1
//