ACCESSION: MSBNK-RIKEN_NPDepo-NGA02337
RECORD_TITLE: Salutaridine; 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, Morphine alkaloids

CH$NAME: Salutaridine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₉H₂₁NO₄
CH$EXACT_MASS: 327.3835
CH$SMILES: COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c42)C3=CC1=O
CH$IUPAC: InChI=1S/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3
CH$LINK: CAS 1936-18-1
CH$LINK: CHEMSPIDER 16736005
CH$LINK: INCHIKEY GVTRUVGBZQJVTF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:625160

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$SPLASH: splash10-0a4i-3190000000-38ed10584e92b6bab002
PK$NUM_PEAK: 234
PK$PEAK: m/z int. rel.int.
  57.2 1.19 1
  57.3 3.13 3
  57.4 6.51 6
  57.5 11.69 11
  57.6 20.56 20
  57.7 35.33 35
  57.8 55.31 55
  57.9 76.15 76
  58.0 92.33 92
  58.1 100.0 99
  58.2 97.69 97
  58.3 85.2 85
  58.4 63.47 63
  58.5 36.71 36
  58.6 13.08 13
  58.7 0.15 0
  164.7 2.46 2
  164.8 4.1 4
  164.9 5.61 5
  165.0 6.64 6
  165.1 7.2 7
  165.2 7.25 7
  165.3 6.47 6
  165.4 4.73 4
  165.5 2.49 2
  182.5 2.22 2
  182.6 3.6 3
  182.7 5.74 5
  182.8 8.9 8
  182.9 12.7 12
  183.0 16.0 15
  183.1 17.68 17
  183.2 17.39 17
  183.3 15.29 15
  183.4 11.51 11
  183.5 6.63 6
  183.6 2.24 2
  191.7 5.17 5
  191.8 8.33 8
  191.9 12.22 12
  192.0 15.52 15
  192.1 17.21 17
  192.2 16.94 16
  192.3 14.8 14
  192.4 11.17 11
  192.5 7.02 7
  192.8 4.44 4
  192.9 6.79 6
  193.0 8.73 8
  193.1 9.38 9
  193.2 8.81 8
  193.3 7.53 7
  193.4 5.77 5
  193.5 3.61 3
  204.6 3.33 3
  204.7 5.29 5
  204.8 8.5 8
  204.9 12.35 12
  205.0 15.37 15
  205.1 16.6 16
  205.2 16.05 16
  205.3 13.83 13
  205.4 9.9 9
  205.5 5.13 5
  205.6 1.38 1
  206.3 1.51 1
  206.4 2.54 2
  206.5 5.18 5
  206.6 10.27 10
  206.7 18.13 18
  206.8 27.67 27
  206.9 36.33 36
  207.0 41.81 41
  207.1 43.67 43
  207.2 42.13 42
  207.3 36.21 36
  207.4 25.27 25
  207.5 12.27 12
  207.6 2.61 2
  210.4 2.98 2
  210.5 5.37 5
  210.6 9.25 9
  210.7 14.9 14
  210.8 22.57 22
  210.9 31.17 31
  211.0 38.14 38
  211.1 41.53 41
  211.2 41.19 41
  211.3 37.21 37
  211.4 28.85 28
  211.5 17.02 17
  211.6 5.88 5
  211.7 0.2 0
  220.7 1.94 1
  220.8 3.1 3
  220.9 4.44 4
  221.0 5.56 5
  221.1 6.1 6
  221.2 5.88 5
  221.3 4.9 4
  221.7 2.82 2
  221.8 4.51 4
  221.9 6.15 6
  222.0 7.08 7
  222.1 7.14 7
  222.2 6.57 6
  222.3 5.51 5
  222.4 3.92 3
  224.8 2.37 2
  224.9 3.52 3
  225.0 4.59 4
  225.1 5.12 5
  225.2 4.87 4
  225.3 3.96 3
  225.4 2.68 2
  232.6 1.76 1
  232.7 3.57 3
  232.8 5.91 5
  232.9 7.89 7
  233.0 8.96 8
  233.1 9.3 9
  233.2 9.11 9
  233.3 8.04 8
  233.4 5.78 5
  233.5 2.99 2
  236.3 3.03 3
  236.4 4.24 4
  236.5 6.64 6
  236.6 10.94 10
  236.7 18.79 18
  236.8 31.19 31
  236.9 45.86 45
  237.0 57.62 57
  237.1 62.51 62
  237.2 60.14 60
  237.3 51.64 51
  237.4 37.9 37
  237.5 21.44 21
  237.6 7.45 7
  237.7 0.45 0
  238.5 3.71 3
  238.6 5.19 5
  238.7 7.93 7
  238.8 12.03 12
  238.9 16.67 16
  239.0 20.5 20
  239.1 22.54 22
  239.2 22.39 22
  239.3 19.68 19
  239.4 14.3 14
  239.5 7.57 7
  239.6 2.09 2
  252.7 2.62 2
  252.8 3.79 3
  252.9 5.03 5
  253.0 6.37 6
  253.1 7.56 7
  253.2 7.89 7
  253.3 6.84 6
  253.4 4.68 4
  253.5 2.33 2
  254.5 3.13 3
  254.6 4.12 4
  254.7 5.77 5
  254.8 8.73 8
  254.9 12.55 12
  255.0 15.76 15
  255.1 17.18 17
  255.2 16.42 16
  255.3 13.57 13
  255.4 9.1 9
  255.5 4.3 4
  255.6 0.93 0
  264.6 1.49 1
  264.7 2.86 2
  264.8 5.28 5
  264.9 7.95 7
  265.0 9.67 9
  265.1 9.96 9
  265.2 9.19 9
  265.3 7.79 7
  265.4 5.73 5
  265.5 3.26 3
  266.6 3.0 2
  266.7 4.61 4
  266.8 6.72 6
  266.9 8.77 8
  267.0 10.17 10
  267.1 10.67 10
  267.2 10.22 10
  267.3 8.66 8
  267.4 6.0 5
  267.5 3.03 3
  269.6 2.27 2
  269.7 3.49 3
  269.8 5.17 5
  269.9 7.24 7
  270.0 9.33 9
  270.1 10.89 10
  270.2 11.46 11
  270.3 10.59 10
  270.4 8.05 8
  270.5 4.6 4
  281.7 2.27 2
  281.8 4.07 4
  281.9 6.05 6
  282.0 7.53 7
  282.1 8.31 8
  282.2 8.39 8
  282.3 7.48 7
  282.4 5.37 5
  282.5 2.64 2
  284.6 1.96 1
  284.7 3.04 3
  284.8 4.84 4
  284.9 7.4 7
  285.0 9.99 9
  285.1 11.5 11
  285.2 11.46 11
  285.3 10.1 10
  285.4 7.7 7
  285.5 4.6 4
  285.6 1.67 1
  327.6 1.64 1
  327.7 3.52 3
  327.8 6.28 6
  327.9 9.59 9
  328.0 12.8 12
  328.1 15.34 15
  328.2 16.93 16
  328.3 16.98 16
  328.4 14.43 14
  328.5 9.23 9
  328.6 3.47 3
//