ACCESSION: MSBNK-RIKEN_NPDepo-NGA00288
RECORD_TITLE: Sinomenine; 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): C19H23NO4
COMMENT: Bottle Name:Sinomenine
COMMENT: PRIME Parent Name:Sinomenine
COMMENT: PRIME in-house No.:V0298
COMMENT: SubCategory_DNP: Isoquinoline alkaloids, Morphine alkaloids

CH$NAME: Kukoline
CH$NAME: Cocculine
CH$NAME: Cucoline
CH$NAME: 4-Hydroxy-3,7-dimethoxy-17-methylmorphin-7-en-6-one
CH$NAME: Sinomenine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₃NO₄
CH$EXACT_MASS: 329.3995
CH$SMILES: COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O
CH$IUPAC: InChI=1S/C19H23NO4/c1-20-7-6-19-10-14(21)16(24-3)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9,12-13,22H,6-8,10H2,1-3H3/t12-,13+,19-/m1/s1
CH$LINK: CAS 115-53-7
CH$LINK: CHEMSPIDER 10179905
CH$LINK: INCHIKEY INYYVPJSBIVGPH-QHRIQVFBSA-N
CH$LINK: PUBCHEM CID:5459308

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$SPLASH: splash10-001i-2395000000-b53756cbccbd950c0ab6
PK$NUM_PEAK: 176
PK$PEAK: m/z int. rel.int.
  57.3 2.11 2
  57.4 3.66 3
  57.5 5.17 5
  57.6 7.37 7
  57.7 12.24 12
  57.8 20.86 20
  57.9 31.26 31
  58.0 39.39 39
  58.1 42.2 42
  58.2 39.21 39
  58.3 31.52 31
  58.4 20.96 20
  58.5 10.31 10
  58.6 2.77 2
  136.6 2.29 2
  136.7 3.81 3
  136.8 5.74 5
  136.9 7.49 7
  137.0 8.57 8
  137.1 8.79 8
  137.2 8.06 8
  137.3 6.31 6
  137.4 3.85 3
  150.6 2.07 2
  150.7 3.77 3
  150.8 6.33 6
  150.9 8.85 8
  151.0 10.28 10
  151.1 10.33 10
  151.2 9.35 9
  151.3 7.54 7
  151.4 5.01 5
  151.5 2.34 2
  180.4 2.76 2
  180.5 3.9 3
  180.6 5.76 5
  180.7 9.24 9
  180.8 14.86 14
  180.9 21.72 21
  181.0 27.67 27
  181.1 30.94 30
  181.2 31.05 31
  181.3 27.93 27
  181.4 21.32 21
  181.5 12.34 12
  181.6 4.24 4
  192.7 2.07 2
  192.8 3.69 3
  192.9 5.98 5
  193.0 7.89 7
  193.1 8.51 8
  193.2 7.95 7
  193.3 6.83 6
  193.4 5.36 5
  193.5 3.46 3
  194.6 2.41 2
  194.7 4.07 4
  194.8 6.57 6
  194.9 9.28 9
  195.0 11.33 11
  195.1 12.11 12
  195.2 11.45 11
  195.3 9.47 9
  195.4 6.51 6
  195.5 3.34 3
  206.4 2.31 2
  206.5 3.51 3
  206.6 5.21 5
  206.7 8.23 8
  206.8 12.95 12
  206.9 18.21 18
  207.0 22.0 21
  207.1 23.16 23
  207.2 21.56 21
  207.3 17.27 17
  207.4 10.88 10
  207.5 4.46 4
  208.5 2.59 2
  208.6 3.82 3
  208.7 6.2 6
  208.8 10.07 10
  208.9 14.57 14
  209.0 17.93 17
  209.1 19.04 19
  209.2 18.06 18
  209.3 15.37 15
  209.4 11.03 11
  209.5 5.86 5
  209.6 1.79 1
  210.7 1.68 1
  210.8 2.94 2
  210.9 4.46 4
  211.0 5.71 5
  211.1 6.11 6
  211.2 5.49 5
  211.3 4.11 4
  211.4 2.49 2
  212.6 2.91 2
  212.7 4.64 4
  212.8 7.73 7
  212.9 11.64 11
  213.0 15.36 15
  213.1 18.12 18
  213.2 19.4 19
  213.3 18.34 18
  213.4 14.2 14
  213.5 8.0 7
  213.6 2.47 2
  222.4 2.19 2
  222.5 3.59 3
  222.6 6.28 6
  222.7 11.17 11
  222.8 18.08 18
  222.9 25.29 25
  223.0 30.67 30
  223.1 32.88 32
  223.2 31.32 31
  223.3 25.83 25
  223.4 17.29 17
  223.5 8.4 8
  223.6 2.29 2
  238.4 2.22 2
  238.5 4.09 4
  238.6 7.62 7
  238.7 13.25 13
  238.8 20.81 20
  238.9 28.89 28
  239.0 35.14 35
  239.1 37.8 37
  239.2 36.53 36
  239.3 31.41 31
  239.4 22.66 22
  239.5 12.21 12
  239.6 3.78 3
  240.6 2.09 2
  240.7 4.27 4
  240.8 7.93 7
  240.9 12.12 12
  241.0 15.4 15
  241.1 16.74 16
  241.2 15.93 15
  241.3 13.22 13
  241.4 9.1 9
  241.5 4.65 4
  244.8 1.81 1
  244.9 3.01 3
  245.0 4.13 4
  245.1 4.81 4
  245.2 4.89 4
  245.3 4.22 4
  245.4 2.86 2
  254.7 2.38 2
  254.8 4.66 4
  254.9 7.58 7
  255.0 9.95 9
  255.1 10.86 10
  255.2 10.09 10
  255.3 7.99 7
  255.4 5.2 5
  255.5 2.55 2
  329.3 1.83 1
  329.4 3.3 3
  329.5 5.65 5
  329.6 9.89 9
  329.7 18.02 18
  329.8 31.92 31
  329.9 51.25 51
  330.0 72.43 72
  330.1 90.19 90
  330.2 100.0 99
  330.3 98.35 98
  330.4 82.93 82
  330.5 55.82 55
  330.6 26.04 26
  330.7 4.74 4
  330.8 0.0 0
//