ACCESSION: MSBNK-RIKEN_NPDepo-NGA02689
RECORD_TITLE: Cuscutamine; 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 tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: Cuscutamine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C₁₅H₁₄N₂O₃
CH$EXACT_MASS: 270.2904
CH$SMILES: O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2CCC(=O)N21
CH$IUPAC: InChI=1S/C15H14N2O3/c18-13-6-5-11-14-9(7-12(15(19)20)17(11)13)8-3-1-2-4-10(8)16-14/h1-4,11-12,16H,5-7H2,(H,19,20)/t11?,12-/m0/s1
CH$LINK: INCHIKEY NVWTUEWEKRBVPS-KIYNQFGBSA-N
CH$LINK: PUBCHEM CID:16407200

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$SPLASH: splash10-004i-0980000000-26615ca57178c6c91682
PK$NUM_PEAK: 148
PK$PEAK: m/z int. rel.int.
  129.5 1.88 1
  129.6 3.22 3
  129.7 5.08 5
  129.8 7.19 7
  129.9 9.02 9
  130.0 10.1 10
  130.1 10.14 10
  130.2 9.18 9
  130.3 7.5 7
  130.4 5.4 5
  130.5 3.13 3
  143.6 2.73 2
  143.7 4.21 4
  143.8 6.14 6
  143.9 8.01 8
  144.0 9.17 9
  144.1 9.32 9
  144.2 8.67 8
  144.3 7.42 7
  144.4 5.46 5
  144.5 2.94 2
  145.6 2.0 1
  145.7 3.47 3
  145.8 5.33 5
  145.9 6.83 6
  146.0 7.46 7
  146.1 7.19 7
  146.2 6.23 6
  146.3 4.75 4
  146.4 2.97 2
  157.4 1.55 1
  157.5 3.01 3
  157.6 5.5 5
  157.7 8.6 8
  157.8 11.32 11
  157.9 13.22 13
  158.0 14.73 14
  158.1 16.11 16
  158.2 16.42 16
  158.3 14.21 14
  158.4 9.4 9
  158.5 3.93 3
  167.8 2.91 2
  167.9 4.38 4
  168.0 5.74 5
  168.1 6.57 6
  168.2 6.71 6
  168.3 6.23 6
  168.4 5.39 5
  168.5 4.8 4
  168.6 5.17 5
  168.7 6.89 6
  168.8 9.94 9
  168.9 13.54 13
  169.0 16.31 16
  169.1 17.32 17
  169.2 16.86 16
  169.3 15.35 15
  169.4 12.33 12
  169.5 7.93 7
  169.7 4.37 4
  169.8 7.41 7
  169.9 10.96 10
  170.0 13.22 13
  170.1 14.16 14
  170.2 13.94 13
  170.3 12.13 12
  170.4 8.73 8
  170.5 4.82 4
  170.6 1.76 1
  179.4 1.53 1
  179.5 3.29 3
  179.6 6.44 6
  179.7 11.78 11
  179.8 19.35 19
  179.9 27.44 27
  180.0 33.38 33
  180.1 35.59 35
  180.2 34.37 34
  180.3 30.23 30
  180.4 23.07 23
  180.5 14.01 13
  180.6 6.31 6
  181.6 5.14 5
  181.7 7.61 7
  181.8 11.68 11
  181.9 15.3 15
  182.0 17.51 17
  182.1 18.66 18
  182.2 18.84 18
  182.3 17.2 17
  182.4 13.14 13
  182.5 7.76 7
  196.5 1.81 1
  196.6 2.76 2
  196.7 4.74 4
  196.8 7.91 7
  196.9 11.26 11
  197.0 13.41 13
  197.1 13.91 13
  197.2 13.47 13
  197.3 12.57 12
  197.4 10.67 10
  197.5 7.26 7
  197.6 3.36 3
  206.8 3.06 3
  206.9 4.3 4
  207.0 5.49 5
  207.1 6.33 6
  207.2 6.57 6
  207.3 5.92 5
  207.8 4.15 4
  207.9 5.86 5
  208.0 7.26 7
  208.1 7.93 7
  208.2 7.73 7
  208.3 6.59 6
  208.4 4.51 4
  208.5 2.08 2
  222.4 1.15 1
  222.5 2.42 2
  222.6 4.13 4
  222.7 6.36 6
  222.8 9.46 9
  222.9 13.37 13
  223.0 16.88 16
  223.1 18.55 18
  223.2 17.95 17
  223.3 15.35 15
  223.4 11.03 11
  223.5 5.82 5
  223.6 1.56 1
  224.2 1.65 1
  224.3 3.14 3
  224.4 5.77 5
  224.5 10.96 10
  224.6 20.6 20
  224.7 35.5 35
  224.8 54.46 54
  224.9 74.29 74
  225.0 90.55 90
  225.1 99.56 99
  225.2 100.0 99
  225.3 91.25 91
  225.4 71.98 71
  225.5 44.21 44
  225.6 16.93 16
  225.7 1.28 1
//