ACCESSION: MSBNK-Keio_Univ-KO009165
RECORD_TITLE: Prazosin; LC-ESI-IT; MS2; m/z: 384; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 1.00

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

PK$SPLASH: splash10-0002-0093000000-bffbfeafa12bdaf90f1d
PK$ANNOTATION: m/z struct. num formula mass
  138.1 1 1 C7H8NO2 138.0555
  247.1 1 1 C12H15N4O2 247.1195
  316.2 1 1 C15H18N5O3 316.14096
PK$NUM_PEAK: 144
PK$PEAK: m/z int. rel.int.
  107.0 1158.00 1
  108.0 1313.57 1
  111.0 1190.00 1
  112.1 1237.21 1
  118.1 3146.98 1
  120.0 44072.42 6
  122.0 3403.88 1
  129.9 608.87 1
  132.9 1727.36 1
  136.1 1213.64 1
  137.1 943.24 1
  138.1 477332.92 67
  138.7 549.37 1
  146.1 7891.97 1
  150.1 4486.52 1
  158.1 344.63 1
  159.0 380.66 1
  160.0 3652.20 1
  161.1 6367.01 1
  163.1 37865.63 5
  164.1 182412.89 26
  164.9 2477.10 1
  168.9 1373.27 1
  172.8 2215.14 1
  174.0 1414.03 1
  176.1 3604.45 1
  177.1 17690.59 2
  178.0 7016.62 1
  179.1 1821.70 1
  180.0 1609.90 1
  181.1 14994.95 2
  183.9 1025.08 1
  186.0 5011.03 1
  187.1 1425.09 1
  188.2 3541.36 1
  189.1 14021.52 2
  190.0 6988.18 1
  191.1 3107.25 1
  201.0 4881.96 1
  202.1 9568.04 1
  203.1 105515.38 15
  204.1 46879.38 7
  205.1 59361.26 8
  206.1 24267.75 3
  207.0 3214.61 1
  212.1 386.78 1
  213.1 8407.82 1
  214.2 4583.32 1
  215.1 10369.51 1
  216.1 3347.25 1
  217.1 22469.80 3
  218.1 3396.75 1
  219.1 25132.18 4
  220.1 47836.48 7
  221.1 122171.33 17
  222.1 54226.93 8
  227.0 2241.03 1
  229.1 28877.32 4
  230.0 21114.60 3
  231.1 685887.78 97
  232.1 444954.60 63
  233.1 27240.95 4
  240.1 1176.51 1
  241.1 1206.44 1
  242.1 2404.53 1
  243.1 2350.64 1
  244.0 1818.79 1
  245.1 74530.88 11
  246.2 15495.06 2
  247.1 7077955.00 999
  248.1 26150.70 4
  249.2 8987.29 1
  250.3 1355.46 1
  251.2 3103.29 1
  252.5 672.03 1
  255.0 3301.98 1
  255.9 6295.00 1
  257.1 35528.18 5
  258.1 37250.53 5
  259.0 14012.85 2
  260.1 1806.62 1
  263.1 1386.96 1
  267.1 2924.20 1
  270.1 855.45 1
  271.1 14478.11 2
  272.1 18947.05 3
  273.2 107971.89 15
  274.1 155685.05 22
  275.2 7596.96 1
  279.0 2226.90 1
  280.0 357.02 1
  283.2 3097.82 1
  284.1 1311.66 1
  285.1 2916.14 1
  286.2 2381.86 1
  287.2 37385.93 5
  288.2 145299.77 21
  289.1 3791.14 1
  290.3 860.56 1
  291.3 3031.77 1
  294.2 4211.12 1
  295.0 7242.78 1
  296.2 1586.37 1
  297.2 8088.68 1
  298.2 4581.65 1
  299.1 971.96 1
  300.2 33898.93 5
  301.2 15816.57 2
  308.3 2275.19 1
  310.0 1628.65 1
  310.9 380.97 1
  311.6 1009.73 1
  313.3 655.07 1
  314.1 2933.15 1
  315.2 101703.16 14
  316.2 858580.74 121
  317.0 594.71 1
  321.1 4162.43 1
  322.2 9122.12 1
  323.1 17603.00 2
  324.1 1658.71 1
  325.1 31753.74 4
  326.1 14020.26 2
  334.1 1013.60 1
  337.2 766.55 1
  338.2 47430.11 7
  339.2 3264.03 1
  340.2 36949.85 5
  341.2 515210.22 73
  342.2 2182.82 1
  348.2 1085.61 1
  350.2 63099.48 9
  351.2 27687.40 4
  354.0 383.69 1
  356.2 567.01 1
  364.2 2227.26 1
  366.2 1521564.12 215
  367.1 12528.93 2
  368.1 156575.20 22
  369.2 110504.10 16
  370.5 951.69 1
  384.2 30205.19 4
  415.6 2345.98 1
  417.0 406.61 1
//