ACCESSION: MSBNK-Keio_Univ-KO009166
RECORD_TITLE: Prazosin; LC-ESI-IT; MS3; m/z: 384/366; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID P191
COMMENT: [MS2] KO009165

CH$NAME: Prazosin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₂₁N₅O₄
CH$EXACT_MASS: 383.15935
CH$SMILES: COc(c1)c(OC)cc(c(N)4)c1nc(n4)N(C3)CCN(C3)C(=O)c(c2)occ2
CH$IUPAC: InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
CH$LINK: CAS 19216-56-9
CH$LINK: KEGG C07368
CH$LINK: NIKKAJI J10.000E
CH$LINK: PUBCHEM SID:9572
CH$LINK: INCHIKEY IENZQIKPVFGBNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4049082

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.00/0.90

MS$FOCUSED_ION: PRECURSOR_M/Z 384/366
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0udi-0029000000-6593e87bc7329e865c54
PK$NUM_PEAK: 140
PK$PEAK: m/z int. rel.int.
  117.1 13.92 2
  118.0 95.23 11
  119.1 25.38 3
  120.0 970.69 112
  121.1 11.23 1
  128.1 4.15 1
  132.1 1.69 1
  133.1 9.31 1
  134.1 13.23 2
  135.1 18.62 2
  138.0 6.69 1
  145.1 24.15 3
  146.0 90.54 10
  147.0 9.08 1
  150.0 20.61 2
  160.2 24.85 3
  161.0 33.30 4
  162.0 27.31 3
  163.1 44.16 5
  171.0 2.69 1
  174.1 5.54 1
  176.1 8.92 1
  177.1 133.15 15
  178.1 2.46 1
  183.1 1.92 1
  185.1 13.00 2
  186.1 9.31 1
  187.1 5.62 1
  188.0 18.15 2
  189.1 2.46 1
  190.1 19.16 2
  191.1 13.46 2
  192.2 4.39 1
  200.1 0.85 1
  201.1 20.77 2
  203.1 34.77 4
  204.1 183.46 21
  205.1 452.47 52
  206.1 227.84 26
  211.2 6.08 1
  212.1 5.92 1
  213.0 1.54 1
  214.0 11.85 1
  215.0 16.15 2
  216.1 6.23 1
  217.0 20.69 2
  218.0 25.70 3
  220.1 21.92 3
  221.1 690.24 80
  222.1 328.08 38
  226.2 2.15 1
  227.0 3.62 1
  228.1 4.08 1
  229.1 88.69 10
  230.1 49.00 6
  231.1 142.23 16
  232.1 102.38 12
  233.1 66.23 8
  234.0 9.31 1
  235.1 1.62 1
  236.1 9.08 1
  240.1 13.31 2
  241.1 5.00 1
  242.1 1.62 1
  243.1 16.15 2
  244.2 9.15 1
  245.1 493.54 57
  246.2 6.00 1
  247.1 209.16 24
  249.0 6.85 1
  251.1 52.31 6
  252.1 14.15 2
  254.0 3.08 1
  255.2 1.62 1
  256.2 82.46 10
  257.1 196.76 23
  258.1 77.39 9
  259.1 17.23 2
  260.1 1.38 1
  264.2 4.77 1
  265.0 12.93 1
  267.4 4.77 1
  268.1 17.77 2
  269.2 14.08 2
  270.1 25.07 3
  271.2 16.38 2
  272.1 75.31 9
  273.2 340.00 39
  274.1 39.85 5
  277.0 18.31 2
  277.9 1.38 1
  279.1 106.54 12
  280.1 68.62 8
  281.1 69.08 8
  282.2 18.85 2
  283.4 42.31 5
  284.2 2.15 1
  285.2 14.85 2
  286.1 3.92 1
  288.2 3.92 1
  290.0 2.46 1
  292.2 28.00 3
  293.1 96.69 11
  294.2 165.84 19
  295.2 557.16 64
  296.2 122.69 14
  297.2 65.23 8
  298.2 67.70 8
  299.2 1.54 1
  303.1 9.77 1
  304.2 12.08 1
  305.3 55.61 6
  306.1 47.23 5
  307.2 84.15 10
  308.1 148.46 17
  309.2 83.85 10
  310.2 119.46 14
  311.2 17.08 2
  312.2 19.39 2
  313.1 3.77 1
  320.2 5.77 1
  321.2 244.15 28
  322.2 1950.03 225
  323.2 924.31 107
  324.2 94.31 11
  325.2 47.00 5
  327.2 9.00 1
  331.3 4.00 1
  332.1 44.46 5
  333.2 48.00 6
  334.2 11.08 1
  336.1 71.62 8
  337.2 77.93 9
  338.2 3911.37 451
  339.2 11.08 1
  348.2 224.69 26
  349.2 75.08 9
  350.2 8656.26 999
  351.2 1495.15 173
  366.2 470.31 54
//