ACCESSION: MSBNK-RIKEN_NPDepo-NGA01048
RECORD_TITLE: Cryptopine; 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: Alkaloids derived from anthranilic acid, Cryptolepine-type alkaloids

CH$NAME: Cryptopine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₂₁H₂₃NO₅
CH$EXACT_MASS: 369.4212
CH$SMILES: COc1cc2c(cc1OC)C(=O)Cc1ccc3c(c1CN(C)CC2)OCO3
CH$IUPAC: InChI=1S/C21H23NO5/c1-22-7-6-14-9-19(24-2)20(25-3)10-15(14)17(23)8-13-4-5-18-21(16(13)11-22)27-12-26-18/h4-5,9-10H,6-8,11-12H2,1-3H3
CH$LINK: CAS 482-74-6
CH$LINK: CHEMSPIDER 65491
CH$LINK: INCHIKEY XPOJSWHIKCNLEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40197463
CH$LINK: PUBCHEM CID:72616

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$SPLASH: splash10-0uxr-0693000000-10d7ef16fd7ae4f55b2c
PK$NUM_PEAK: 184
PK$PEAK: m/z int. rel.int.
  148.5 2.02 2
  148.6 3.82 3
  148.7 6.58 6
  148.8 9.79 9
  148.9 12.6 12
  149.0 14.43 14
  149.1 15.17 15
  149.2 14.91 14
  149.3 13.55 13
  149.4 10.84 10
  149.5 7.23 7
  149.8 4.75 4
  149.9 7.1 7
  150.0 8.81 8
  150.1 9.23 9
  150.2 8.41 8
  150.3 6.66 6
  150.4 4.39 4
  164.3 1.59 1
  164.4 3.76 3
  164.5 7.11 7
  164.6 12.76 12
  164.7 22.99 22
  164.8 38.51 38
  164.9 55.86 55
  165.0 69.35 69
  165.1 75.88 75
  165.2 75.9 75
  165.3 69.59 69
  165.4 55.32 55
  165.5 34.19 34
  165.6 13.18 13
  165.7 0.92 0
  174.6 2.48 2
  174.7 3.89 3
  174.8 6.12 6
  174.9 8.48 8
  175.0 10.05 10
  175.1 10.54 10
  175.2 10.15 10
  175.3 8.8 8
  175.4 6.3 6
  175.5 3.23 3
  189.4 3.02 3
  189.5 4.03 4
  189.6 5.88 5
  189.7 9.65 9
  189.8 15.76 15
  189.9 23.08 23
  190.0 29.48 29
  190.1 33.26 33
  190.2 33.52 33
  190.3 29.61 29
  190.4 21.58 21
  190.5 11.55 11
  190.6 3.33 3
  192.6 1.96 1
  192.7 3.16 3
  192.8 5.36 5
  192.9 8.11 8
  193.0 10.37 10
  193.1 11.36 11
  193.2 11.07 11
  193.3 9.95 9
  193.4 8.14 8
  193.5 5.69 5
  193.8 3.36 3
  193.9 5.47 5
  194.0 7.26 7
  194.1 7.99 7
  194.2 7.81 7
  194.3 6.9 6
  194.4 5.22 5
  194.5 2.99 2
  203.2 1.59 1
  203.3 3.01 3
  203.4 5.71 5
  203.5 9.67 9
  203.6 16.11 16
  203.7 28.01 27
  203.8 47.13 47
  203.9 70.14 70
  204.0 89.67 89
  204.1 100.0 99
  204.2 99.98 99
  204.3 90.28 90
  204.4 71.46 71
  204.5 46.99 46
  204.6 25.29 25
  204.8 21.18 21
  204.9 37.49 37
  205.0 55.15 55
  205.1 66.29 66
  205.2 68.48 68
  205.3 62.89 62
  205.4 50.49 50
  205.5 32.84 32
  205.6 15.14 15
  205.7 3.97 3
  205.9 3.7 3
  206.0 6.48 6
  206.1 7.85 7
  206.2 8.0 7
  206.3 7.24 7
  206.4 5.59 5
  206.5 3.32 3
  221.6 2.96 2
  221.7 4.83 4
  221.8 7.73 7
  221.9 11.23 11
  222.0 14.3 14
  222.1 16.0 15
  222.2 15.98 15
  222.3 14.32 14
  222.4 11.11 11
  222.5 6.76 6
  222.6 2.62 2
  262.6 1.77 1
  262.7 2.91 2
  262.8 4.56 4
  262.9 6.58 6
  263.0 8.44 8
  263.1 9.5 9
  263.2 9.46 9
  263.3 8.25 8
  263.4 6.01 6
  263.5 3.26 3
  289.8 2.2 2
  289.9 3.55 3
  290.0 4.71 4
  290.1 5.19 5
  290.2 4.9 4
  290.3 4.15 4
  290.4 3.35 3
  290.5 2.85 2
  290.6 3.01 3
  290.7 4.27 4
  290.8 6.81 6
  290.9 10.14 10
  291.0 13.18 13
  291.1 14.87 14
  291.2 14.7 14
  291.3 12.54 12
  291.4 8.72 8
  291.5 4.39 4
  310.8 2.34 2
  310.9 3.5 3
  311.0 4.59 4
  311.1 5.34 5
  311.2 5.71 5
  311.3 5.55 5
  311.4 4.57 4
  311.5 2.79 2
  320.8 2.85 2
  320.9 4.65 4
  321.0 6.76 6
  321.1 8.42 8
  321.2 8.96 8
  321.3 8.09 8
  321.4 6.04 6
  321.5 3.45 3
  351.7 1.81 1
  351.8 2.99 2
  351.9 4.61 4
  352.0 6.18 6
  352.1 7.25 7
  352.2 7.66 7
  352.3 7.33 7
  352.4 5.95 5
  352.5 3.6 3
  369.4 1.61 1
  369.5 3.52 3
  369.6 6.45 6
  369.7 11.37 11
  369.8 19.78 19
  369.9 31.99 31
  370.0 45.6 45
  370.1 56.44 56
  370.2 60.91 60
  370.3 57.2 57
  370.4 45.3 45
  370.5 28.03 28
  370.6 11.32 11
  370.7 1.29 1
//