ACCESSION: MSBNK-RIKEN_NPDepo-NGA00625
RECORD_TITLE: (S)-Luteanine; 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): C20H23NO4
COMMENT: Bottle Name:Isocorydine hydrochloride
COMMENT: PRIME Parent Name:Isocorydine
COMMENT: PRIME in-house No.:?V0334
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Benzylisoquinoline alkaloids (?V0334: Luteanine)

CH$NAME: Artabotrine
CH$NAME: Artabotrin
CH$NAME: Luteanine
CH$NAME: Luteanin
CH$NAME: Uzokoridin
CH$NAME: (S)-Luteanine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₀H₂₃NO₄
CH$EXACT_MASS: 341.4106
CH$SMILES: COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
CH$IUPAC: InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
CH$LINK: CAS 475-67-2 13552-72-2 36284-37-4
CH$LINK: CHEMSPIDER 9737 44304
CH$LINK: INCHIKEY QELDJEKNFOQJOY-ZDUSSCGKSA-N
CH$LINK: COMPTOX DTXSID50929035
CH$LINK: PUBCHEM CID:10143

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$SPLASH: splash10-01t9-0090000000-f5f8c43a70bb0234a7f8
PK$NUM_PEAK: 143
PK$PEAK: m/z int. rel.int.
  190.7 2.94 2
  190.8 4.82 4
  190.9 7.02 7
  191.0 9.01 9
  191.1 10.23 10
  191.2 10.16 10
  191.3 8.62 8
  191.4 6.02 6
  191.5 3.21 3
  218.6 2.5 2
  218.7 3.74 3
  218.8 5.71 5
  218.9 7.98 7
  219.0 9.9 9
  219.1 11.02 11
  219.2 11.05 11
  219.3 9.64 9
  219.4 6.81 6
  219.5 3.45 3
  235.5 6.03 6
  235.6 8.17 8
  235.7 13.18 13
  235.8 21.01 20
  235.9 29.84 29
  236.0 36.96 36
  236.1 39.98 39
  236.2 37.78 37
  236.3 30.72 30
  236.4 20.65 20
  236.5 10.5 10
  236.6 3.23 3
  246.5 2.42 2
  246.6 4.22 4
  246.7 7.37 7
  246.8 11.69 11
  246.9 16.08 16
  247.0 19.07 19
  247.1 19.97 19
  247.2 19.14 19
  247.3 17.34 17
  247.6 14.51 14
  247.7 20.44 20
  247.8 31.8 31
  247.9 45.91 45
  248.0 57.96 57
  248.1 63.77 63
  248.2 61.53 61
  248.3 51.52 51
  248.4 35.73 35
  248.5 18.58 18
  248.6 5.76 5
  250.5 3.13 3
  250.6 4.28 4
  250.7 7.32 7
  250.8 12.41 12
  250.9 18.25 18
  251.0 22.87 22
  251.1 25.14 25
  251.2 24.96 24
  251.3 22.18 22
  251.4 16.61 16
  251.5 9.4 9
  251.6 3.19 3
  263.3 5.67 5
  263.4 7.34 7
  263.5 10.07 10
  263.6 15.63 15
  263.7 26.44 26
  263.8 42.64 42
  263.9 60.33 60
  264.0 73.54 73
  264.1 78.05 77
  264.2 73.01 72
  264.3 59.94 59
  264.4 41.88 41
  264.5 23.83 23
  264.8 15.74 15
  264.9 25.05 25
  265.0 32.61 32
  265.1 36.33 36
  265.2 36.11 36
  265.3 31.89 31
  265.4 23.63 23
  265.5 13.14 13
  265.6 4.18 4
  278.2 3.19 3
  278.3 4.87 4
  278.4 7.22 7
  278.5 10.18 10
  278.6 15.2 15
  278.7 25.86 25
  278.8 44.64 44
  278.9 68.5 68
  279.0 89.39 89
  279.1 100.0 99
  279.2 97.86 97
  279.3 84.03 83
  279.4 61.38 61
  279.5 35.74 35
  279.6 15.69 15
  279.8 11.71 11
  279.9 21.32 21
  280.0 29.98 29
  280.1 34.52 34
  280.2 34.84 34
  280.3 31.44 31
  280.4 24.63 24
  280.5 16.09 16
  280.7 8.45 8
  280.8 13.17 13
  280.9 20.5 20
  281.0 26.4 26
  281.1 28.76 28
  281.2 27.76 27
  281.3 24.1 24
  281.4 18.08 18
  281.5 10.55 10
  281.6 3.81 3
  295.3 1.71 1
  295.4 3.02 3
  295.5 4.55 4
  295.6 6.81 6
  295.7 10.87 10
  295.8 17.3 17
  295.9 25.27 25
  296.0 32.75 32
  296.1 37.45 37
  296.2 37.42 37
  296.3 31.73 31
  296.4 21.5 21
  296.5 10.28 10
  296.6 2.15 2
  310.6 2.21 2
  310.7 3.51 3
  310.8 6.01 6
  310.9 9.51 9
  311.0 12.85 12
  311.1 14.82 14
  311.2 14.96 14
  311.3 13.13 13
  311.4 9.42 9
  311.5 4.82 4
  311.6 1.13 1
//