ACCESSION: MSBNK-RIKEN_NPDepo-NGA02640
RECORD_TITLE: Vincanidine; 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: Formula(Parent): C19H20N2O2
COMMENT: Bottle Name:Vincanidine
COMMENT: PRIME Parent Name:Vincanidine
COMMENT: PRIME in-house No.:V0312
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids

CH$NAME: (11S,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.0(1,9).0(2,7).0(14,17))octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
CH$NAME: Vincanidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₀N₂O₂
CH$EXACT_MASS: 308.3835
CH$SMILES: C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19+/m0/s1
CH$LINK: CAS 1630-41-7
CH$LINK: INCHIKEY JDOFCMASVRMYJU-JYTRXFNOSA-N
CH$LINK: PUBCHEM CID:11870645

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$SPLASH: splash10-0a4i-0591000000-8b5d9be68e7547de43a9
PK$NUM_PEAK: 538
PK$PEAK: m/z int. rel.int.
  55.8 3.48 3
  55.9 4.86 4
  56.0 6.2 6
  56.1 7.01 7
  56.2 6.8 6
  56.3 5.4 5
  56.4 3.27 3
  67.8 3.46 3
  67.9 4.7 4
  68.0 5.88 5
  68.1 6.38 6
  68.2 5.97 5
  68.3 4.85 4
  68.4 3.4 3
  94.8 4.36 4
  94.9 5.6 5
  95.0 6.9 6
  95.1 7.49 7
  95.2 7.0 6
  95.3 5.81 5
  95.4 4.44 4
  107.7 2.95 2
  107.8 4.76 4
  107.9 6.54 6
  108.0 7.66 7
  108.1 8.04 8
  108.2 7.81 7
  108.3 6.89 6
  108.4 5.2 5
  108.5 3.16 3
  121.6 1.84 1
  121.7 3.13 3
  121.8 5.26 5
  121.9 7.79 7
  122.0 9.56 9
  122.1 9.57 9
  122.2 8.01 8
  122.3 5.83 5
  122.4 3.67 3
  122.5 1.77 1
  133.7 3.09 3
  133.8 4.7 4
  133.9 6.44 6
  134.0 7.81 7
  134.1 8.2 8
  134.2 7.28 7
  134.3 5.38 5
  134.4 3.28 3
  145.4 2.74 2
  145.5 4.7 4
  145.6 7.7 7
  145.7 11.79 11
  145.8 16.3 16
  145.9 20.05 20
  146.0 22.35 22
  146.1 23.26 23
  146.2 22.71 22
  146.3 19.95 19
  146.4 14.81 14
  146.5 8.83 8
  158.8 3.17 3
  158.9 4.5 4
  159.0 5.73 5
  159.1 6.16 6
  159.2 5.79 5
  159.3 5.34 5
  159.4 5.31 5
  159.5 5.76 5
  159.6 6.99 6
  159.7 9.77 9
  159.8 14.39 14
  159.9 19.68 19
  160.0 23.48 23
  160.1 24.47 24
  160.2 23.07 23
  160.3 20.02 19
  160.4 15.18 15
  160.5 8.84 8
  160.6 2.99 2
  161.7 2.43 2
  161.8 3.55 3
  161.9 4.7 4
  162.0 5.62 5
  162.1 6.19 6
  162.2 6.45 6
  162.3 6.25 6
  162.4 5.15 5
  162.5 3.09 3
  169.7 2.78 2
  169.8 4.3 4
  169.9 5.84 5
  170.0 6.83 6
  170.1 7.13 7
  170.2 6.7 6
  170.3 5.31 5
  170.4 3.17 3
  171.6 2.49 2
  171.7 4.12 4
  171.8 6.64 6
  171.9 9.18 9
  172.0 11.04 11
  172.1 12.29 12
  172.2 13.07 13
  172.3 12.59 12
  172.4 9.94 9
  172.5 5.78 5
  172.6 2.19 2
  173.4 3.45 3
  173.5 4.3 4
  173.6 5.96 5
  173.7 9.01 9
  173.8 12.83 12
  173.9 15.95 15
  174.0 17.73 17
  174.1 18.82 18
  174.2 19.39 19
  174.3 18.02 18
  174.4 13.48 13
  174.5 7.13 7
  174.6 2.06 2
  182.5 3.08 3
  182.6 5.08 5
  182.7 8.43 8
  182.8 13.43 13
  182.9 19.34 19
  183.0 24.06 24
  183.1 25.69 25
  183.2 24.22 24
  183.3 20.86 20
  183.4 16.69 16
  183.6 12.26 12
  183.7 16.27 16
  183.8 24.83 24
  183.9 35.2 35
  184.0 43.84 43
  184.1 48.3 48
  184.2 48.0 47
  184.3 43.25 43
  184.4 34.47 34
  184.5 23.33 23
  184.6 13.84 13
  184.8 12.6 12
  184.9 17.89 17
  185.0 22.05 22
  185.1 23.6 23
  185.2 23.14 23
  185.3 21.34 21
  185.4 17.89 17
  185.5 12.78 12
  185.6 7.74 7
  186.6 5.54 5
  186.7 8.41 8
  186.8 13.78 13
  186.9 20.03 20
  187.0 24.9 24
  187.1 26.83 26
  187.2 25.78 25
  187.3 22.3 22
  187.4 16.72 16
  187.5 10.0 9
  187.6 4.49 4
  195.4 2.76 2
  195.5 4.78 4
  195.6 8.65 8
  195.7 14.7 14
  195.8 21.57 21
  195.9 27.2 27
  196.0 30.85 30
  196.1 33.21 33
  196.2 34.31 34
  196.3 32.35 32
  196.4 25.73 25
  196.5 16.06 16
  196.8 7.51 7
  196.9 12.13 12
  197.0 15.84 15
  197.1 17.39 17
  197.2 16.98 16
  197.3 15.1 15
  197.4 11.95 11
  197.7 6.71 6
  197.8 10.62 10
  197.9 15.63 15
  198.0 19.29 19
  198.1 20.54 20
  198.2 19.72 19
  198.3 17.07 17
  198.4 12.62 12
  198.5 7.39 7
  198.8 5.05 5
  198.9 8.38 8
  199.0 11.54 11
  199.1 13.51 13
  199.2 13.56 13
  199.3 11.5 11
  199.4 8.05 8
  199.7 3.99 3
  199.8 6.75 6
  199.9 9.38 9
  200.0 10.48 10
  200.1 10.3 10
  200.2 9.71 9
  200.3 8.68 8
  200.4 6.59 6
  200.5 3.69 3
  201.4 2.18 2
  201.5 4.07 4
  201.6 7.34 7
  201.7 12.44 12
  201.8 19.51 19
  201.9 27.61 27
  202.0 34.8 34
  202.1 38.75 38
  202.2 37.38 37
  202.3 29.87 29
  202.4 18.17 18
  202.5 6.97 6
  202.6 0.55 0
  206.7 3.22 3
  206.8 4.69 4
  206.9 6.42 6
  207.0 7.91 7
  207.1 8.78 8
  207.2 8.95 8
  207.3 8.35 8
  207.4 6.87 6
  207.8 4.41 4
  207.9 5.93 5
  208.0 7.26 7
  208.1 8.44 8
  208.2 9.24 9
  208.3 8.71 8
  208.4 6.35 6
  208.7 2.2 2
  208.8 4.46 4
  208.9 6.71 6
  209.0 7.7 7
  209.1 7.23 7
  209.6 4.8 4
  209.7 6.57 6
  209.8 9.96 9
  209.9 13.94 13
  210.0 16.82 16
  210.1 17.78 17
  210.2 16.97 16
  210.3 14.56 14
  210.4 10.77 10
  210.5 6.62 6
  210.8 4.81 4
  210.9 7.25 7
  211.0 9.05 9
  211.1 9.22 9
  211.2 8.2 8
  211.7 6.57 6
  211.8 9.93 9
  211.9 14.0 13
  212.0 17.05 17
  212.1 18.09 18
  212.2 17.3 17
  212.3 15.25 15
  212.4 12.0 11
  212.5 7.74 7
  214.3 3.24 3
  214.4 4.27 4
  214.5 5.95 5
  214.6 8.62 8
  214.7 13.39 13
  214.8 21.09 21
  214.9 30.15 30
  215.0 37.01 36
  215.1 39.43 39
  215.2 38.06 38
  215.3 33.83 33
  215.4 26.32 26
  215.5 16.0 15
  215.6 6.13 6
  215.7 0.68 0
  219.7 3.27 3
  219.8 4.9 4
  219.9 6.71 6
  220.0 8.21 8
  220.1 8.87 8
  220.2 8.51 8
  220.3 7.47 7
  220.7 4.95 4
  220.8 6.78 6
  220.9 9.53 9
  221.0 12.18 12
  221.1 13.9 13
  221.2 14.19 14
  221.3 12.86 12
  221.4 10.14 10
  221.7 5.51 5
  221.8 8.39 8
  221.9 12.4 12
  222.0 15.86 15
  222.1 17.61 17
  222.2 17.15 17
  222.3 14.55 14
  222.4 10.57 10
  222.7 5.63 5
  222.8 9.45 9
  222.9 13.87 13
  223.0 16.49 16
  223.1 16.73 16
  223.2 15.7 15
  223.3 14.3 14
  223.4 12.42 12
  223.7 10.34 10
  223.8 13.82 13
  223.9 17.85 17
  224.0 21.06 21
  224.1 23.32 23
  224.2 24.73 24
  224.3 24.25 24
  224.4 20.37 20
  224.5 13.46 13
  224.6 6.59 6
  224.8 4.55 4
  224.9 8.23 8
  225.0 11.38 11
  225.1 12.58 12
  225.2 12.25 12
  225.3 11.15 11
  225.4 9.32 9
  225.7 4.47 4
  225.8 6.63 6
  225.9 10.57 10
  226.0 14.88 14
  226.1 17.91 17
  226.2 18.43 18
  226.3 16.14 16
  226.4 11.68 11
  226.5 6.56 6
  226.6 2.72 2
  232.6 2.37 2
  232.7 3.9 3
  232.8 6.09 6
  232.9 8.08 8
  233.0 9.26 9
  233.1 9.64 9
  233.2 9.46 9
  233.3 8.53 8
  233.4 6.59 6
  233.7 4.2 4
  233.8 6.35 6
  233.9 8.43 8
  234.0 9.88 9
  234.1 10.59 10
  234.2 10.47 10
  234.3 9.47 9
  234.7 6.9 6
  234.8 9.85 9
  234.9 13.54 13
  235.0 16.76 16
  235.1 18.84 18
  235.2 19.8 19
  235.3 19.53 19
  235.4 17.42 17
  235.7 12.9 12
  235.8 19.79 19
  235.9 28.74 28
  236.0 35.82 35
  236.1 39.05 39
  236.2 38.54 38
  236.3 34.62 34
  236.4 27.19 27
  236.5 17.38 17
  236.6 8.7 8
  236.8 6.49 6
  236.9 10.99 10
  237.0 14.97 14
  237.1 16.79 16
  237.2 16.75 16
  237.3 15.5 15
  237.4 13.05 13
  237.6 8.3 8
  237.7 11.11 11
  237.8 18.63 18
  237.9 27.87 27
  238.0 35.06 35
  238.1 38.47 38
  238.2 38.34 38
  238.3 34.68 34
  238.4 26.94 26
  238.5 16.33 16
  238.6 6.7 6
  247.7 4.93 4
  247.8 7.28 7
  247.9 10.44 10
  248.0 12.94 12
  248.1 14.06 14
  248.2 14.09 14
  248.3 13.25 13
  248.4 11.05 11
  248.5 7.56 7
  248.8 5.09 5
  248.9 8.0 7
  249.0 10.54 10
  249.1 11.86 11
  249.2 12.0 11
  249.3 11.29 11
  249.4 9.74 9
  249.5 7.42 7
  249.8 4.94 4
  249.9 6.95 6
  250.0 9.37 9
  250.1 11.24 11
  250.2 11.71 11
  250.3 10.5 10
  250.4 8.05 8
  250.7 4.37 4
  250.8 6.63 6
  250.9 9.44 9
  251.0 11.69 11
  251.1 13.02 13
  251.2 13.53 13
  251.3 13.04 13
  251.4 11.2 11
  251.7 6.81 6
  251.8 10.47 10
  251.9 15.67 15
  252.0 19.89 19
  252.1 21.46 21
  252.2 20.67 20
  252.3 18.58 18
  252.4 15.29 15
  252.5 10.54 10
  252.6 5.59 5
  252.9 4.5 4
  253.0 6.47 6
  253.1 7.92 7
  253.2 8.63 8
  253.3 8.36 8
  253.4 7.05 7
  253.7 4.3 4
  253.8 6.23 6
  253.9 8.94 8
  254.0 11.26 11
  254.1 12.63 12
  254.2 12.98 12
  254.3 12.01 11
  254.4 9.34 9
  254.5 5.61 5
  254.8 2.49 2
  254.9 4.16 4
  255.0 5.76 5
  255.1 6.93 6
  255.2 7.33 7
  255.3 6.41 6
  255.4 4.16 4
  255.5 1.62 1
  261.6 2.77 2
  261.7 4.37 4
  261.8 6.34 6
  261.9 8.42 8
  262.0 10.59 10
  262.1 12.59 12
  262.2 13.83 13
  262.3 13.48 13
  262.4 10.95 10
  262.5 6.88 6
  262.8 3.32 3
  262.9 5.59 5
  263.0 7.4 7
  263.1 8.18 8
  263.2 8.0 7
  263.3 7.1 7
  263.7 5.59 5
  263.8 8.37 8
  263.9 12.07 12
  264.0 16.0 15
  264.1 19.3 19
  264.2 20.8 20
  264.3 19.43 19
  264.4 15.03 15
  264.5 9.06 9
  264.8 3.44 3
  264.9 6.01 6
  265.0 8.28 8
  265.1 9.24 9
  265.2 8.97 8
  265.3 8.21 8
  265.4 7.41 7
  265.5 6.59 6
  265.6 6.47 6
  265.7 8.3 8
  265.8 12.29 12
  265.9 16.98 16
  266.0 20.62 20
  266.1 22.39 22
  266.2 22.11 22
  266.3 19.75 19
  266.4 15.3 15
  266.5 9.59 9
  266.6 4.56 4
  279.7 3.76 3
  279.8 5.87 5
  279.9 8.76 8
  280.0 11.64 11
  280.1 13.67 13
  280.2 14.22 14
  280.3 13.0 12
  280.4 10.34 10
  280.7 5.06 5
  280.8 7.43 7
  280.9 12.16 12
  281.0 17.7 17
  281.1 21.45 21
  281.2 21.89 21
  281.3 19.56 19
  281.4 15.43 15
  281.5 9.93 9
  281.6 4.19 4
  290.7 2.01 2
  290.8 3.35 3
  290.9 5.29 5
  291.0 7.48 7
  291.1 9.41 9
  291.2 10.38 10
  291.3 9.7 9
  291.4 7.3 7
  291.5 4.14 4
  308.3 0.37 0
  308.4 1.4 1
  308.5 5.09 5
  308.6 12.22 12
  308.7 23.45 23
  308.8 38.85 38
  308.9 57.45 57
  309.0 76.48 76
  309.1 91.88 91
  309.2 100.0 99
  309.3 97.73 97
  309.4 82.35 82
  309.5 55.15 55
  309.6 25.06 25
  309.7 3.83 3
//