MassBank Record: CB000033



 Cycloheximide; LC-ESI-QQQ; MS; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CB000033
RECORD_TITLE: Cycloheximide; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Microbe
COMMENT: SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids

CH$NAME: Cycloheximide CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C15H23NO4 CH$EXACT_MASS: 281.35486000000003 CH$SMILES: CC1C[C@H](C)C(=O)[C@H]([C@H](O)CC2CC(=O)N=C(O)C2)C1 CH$IUPAC: InChI=1S/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)/t8?,9-,11-,12+/m0/s1 CH$LINK: CAS 66-81-9 CH$LINK: PUBCHEM CID:5962 CH$LINK: INCHIKEY YPHMISFOHDHNIV-IDHBKJTRSA-N
AC$INSTRUMENT: ABSciex API3200 LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0090020000-eb6e091869b45dbffd06 PK$NUM_PEAK: 180 PK$PEAK: m/z int. rel.int. 141.7000 140430.0313 44 141.8000 234476.7344 74 141.9000 275579.7188 87 142.0000 270959.3750 85 142.1000 276319.7500 87 142.2000 175232.5000 55 142.3000 154050.9844 48 142.4000 100687.1797 31 158.8000 69805.0000 21 159.1000 71925.1484 22 218.7000 82465.8984 25 218.8000 71485.1172 21 219.0000 82785.9219 25 219.1000 88226.3125 27 219.2000 86186.1719 26 219.3000 82625.8984 25 219.4000 72445.1797 22 228.6000 89646.3984 27 228.7000 115968.2891 36 228.8000 131509.4219 41 228.9000 106807.6172 33 229.0000 113808.1328 35 229.1000 127409.1016 39 229.2000 136409.7656 42 229.3000 84086.0156 25 229.4000 102207.3047 31 245.4000 79585.6953 24 245.5000 326443.3125 103 245.6000 494935.3750 157 245.7000 617624.1250 197 245.8000 758094.2500 242 245.9000 589102.0625 187 246.0000 574881.1875 183 246.1000 593222.4375 189 246.2000 524557.4375 167 246.3000 481154.4375 153 246.4000 553899.5625 176 246.5000 432270.8750 137 246.6000 329323.5625 104 246.7000 406789.0625 129 246.8000 375186.8125 119 246.9000 310862.2813 98 247.0000 304821.8438 96 247.1000 310042.2188 98 247.2000 314922.5625 99 247.3000 264898.9688 83 247.4000 237076.9531 75 247.5000 135049.6563 42 247.6000 79105.6641 24 247.8000 73065.2266 22 263.4000 71125.0938 21 263.5000 380127.2500 120 263.6000 776095.4375 247 263.7000 755174.0000 241 263.8000 826839.0625 264 263.9000 945367.5625 302 264.0000 989530.6875 316 264.1000 975909.8125 311 264.2000 937386.9375 299 264.3000 1041194.4375 332 264.4000 803017.4375 256 264.5000 534738.1875 170 264.6000 445971.8125 142 264.7000 451772.2813 143 264.8000 434471.0938 138 264.9000 472093.7813 150 265.0000 426350.4375 135 265.1000 408829.2500 130 265.2000 410889.4375 130 265.3000 352765.1563 112 265.4000 329443.5938 104 265.5000 187593.4063 59 265.6000 96566.8984 29 265.7000 99247.1016 30 281.4000 357905.6250 113 281.5000 1658578.3750 530 281.6000 2404291.5000 770 281.7000 2789879.7500 893 281.8000 2973372.7500 952 281.9000 3110162.5000 996 282.0000 3118403.0000 999 282.1000 2968112.2500 950 282.2000 3109002.0000 995 282.3000 2811461.0000 900 282.4000 2419392.7500 774 282.5000 1638157.0000 524 282.6000 889703.5625 284 282.7000 786676.1875 251 282.8000 669287.8750 213 282.9000 725691.9375 231 283.0000 727712.1250 232 283.1000 674028.1250 215 283.2000 585421.8125 186 283.3000 650926.6875 207 283.4000 553159.5000 176 283.5000 355145.4063 112 283.6000 139469.9688 43 283.7000 121628.7031 38 283.8000 98427.0234 30 283.9000 97887.0078 30 284.0000 95426.8281 29 284.1000 115848.2813 36 284.2000 76865.5000 23 284.3000 74565.3359 22 284.4000 81965.8672 25 298.5000 156471.1875 49 298.6000 311542.2188 98 298.7000 335884.0000 106 298.8000 414889.7188 132 298.9000 488894.9688 155 299.0000 424810.3438 135 299.1000 439431.4063 139 299.2000 435631.0625 138 299.3000 418549.9375 133 299.4000 632785.2500 201 299.5000 249657.8438 79 299.6000 79785.7109 24 299.7000 81545.8281 25 299.8000 75145.3750 23 299.9000 74445.3281 22 300.0000 73185.2422 22 300.1000 77665.5703 23 300.2000 76065.4375 23 300.3000 75825.4063 23 300.4000 69464.9609 21 322.6000 105167.5234 32 322.7000 148350.5938 46 322.8000 114928.2188 35 322.9000 137269.8281 43 323.0000 154251.0313 48 323.1000 140370.0625 44 323.2000 130349.3203 40 323.3000 112768.0625 35 323.4000 100327.1875 31 323.5000 80385.7578 24 562.5000 162971.6719 51 562.6000 599302.8125 191 562.7000 955988.5000 305 562.8000 1061075.8750 339 562.9000 1255969.6250 401 563.0000 1257429.8750 402 563.1000 1175564.2500 375 563.2000 1222727.3750 391 563.3000 1108799.3750 354 563.4000 837559.8750 267 563.5000 454952.5000 144 563.6000 347304.8125 110 563.7000 659267.1250 210 563.8000 536798.3750 171 563.9000 522517.3750 166 564.0000 460512.8750 146 564.1000 458792.8125 146 564.2000 498095.6250 158 564.3000 409929.2813 130 564.4000 350865.1563 111 564.5000 164351.7344 51 564.6000 104487.4688 32 564.7000 92346.6094 28 564.8000 107467.6797 33 564.9000 132349.4688 41 565.0000 121768.7109 38 565.1000 111908.0078 34 565.2000 101907.2891 31 565.3000 103767.4219 32 565.4000 82905.9375 25 579.6000 82685.9141 25 579.7000 156871.2188 49 579.8000 166531.9219 52 579.9000 209334.9375 66 580.0000 202554.4688 63 580.1000 208154.8750 65 580.2000 207554.8281 65 580.3000 176952.6250 55 580.4000 122208.7266 38 580.5000 90246.4609 27 580.8000 78545.6328 24 580.9000 90806.4922 28 581.0000 86686.1953 26 581.1000 76805.4922 23 581.2000 97506.9844 30 //