MassBank Record: GLS00161



 D-Lyxose; EI-B; MS; 4 TMS; RT: 674.49 s 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: GLS00161
RECORD_TITLE: D-Lyxose; EI-B; MS; 4 TMS; RT: 674.49 s
DATE: 2016.01.19 (Created 2012.08.03, modified 2013.07.31)
AUTHORS: Miyagawa H, Akimoto S, Yamasaki K, GL Sciences Inc.
LICENSE: CC BY-SA
COPYRIGHT: GLS
COMMENT: The chemical compound was chemically modified with N-methyl-N-trimethylsilyl-trifluoroacetamide(MSTFA) before GC-MS analysis. When it has two or more functional groups, this modification gave a mixture of the TMS derivatives having different number of TMS groups at different functional groups.

CH$NAME: D-Lyxose CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H10O5 CH$EXACT_MASS: 150.05282 CH$SMILES: O[C@H](C1)[C@H](O)[C@H](O)C(O)O1 CH$IUPAC: InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4+,5?/m1/s1 CH$LINK: CAS 1114-34-7 CH$LINK: CHEBI 16789 CH$LINK: KEGG C00476 CH$LINK: PUBCHEM 3759
AC$INSTRUMENT: GCMS-2010 Plus, Shimadzu AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: GAS_PRESSURE 75 kPa AC$MASS_SPECTROMETRY: ION_SOURCE_TEMPERATURE 200 C AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 85-500 AC$CHROMATOGRAPHY: COLUMN_NAME InertCap 5MS/NP 0.25 mmI.D. x 30 m, df=0.25 um AC$CHROMATOGRAPHY: INJECTION_TEMPERATURE 230 C AC$CHROMATOGRAPHY: OVEN_TEMPERATURE 80 C(2 min)-15 C/min - 330C AC$CHROMATOGRAPHY: RETENTION_INDEX 1683 AC$CHROMATOGRAPHY: RETENTION_TIME 674.49 AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE 4 TMS MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-1000-0952000000-3b7d6a9352e045415636 PK$NUM_PEAK: 387 PK$PEAK: m/z int. rel.int. 86.000000 4470.000000 4 86.950000 6585.000000 6 88.000000 3553.000000 3 88.950000 53040.000000 46 90.000000 4628.000000 4 91.000000 2537.000000 2 92.000000 274.000000 1 93.000000 479.000000 1 93.950000 1616.000000 1 95.000000 721.000000 1 96.000000 810.000000 1 97.000000 569.000000 1 98.000000 2646.000000 2 99.000000 3734.000000 3 100.000000 43153.000000 38 101.000000 20703.000000 18 102.050000 19940.000000 17 103.000000 1146519.000000 999 104.000000 108772.000000 95 105.000000 66745.000000 58 106.000000 4174.000000 4 107.000000 1151.000000 1 108.000000 52.000000 1 109.000000 143.000000 1 110.000000 615.000000 1 111.000000 1404.000000 1 112.000000 2017.000000 2 112.950000 5744.000000 5 114.000000 12327.000000 11 114.950000 8470.000000 7 116.000000 8142.000000 7 117.000000 76858.000000 67 118.000000 8348.000000 7 118.950000 9267.000000 8 120.000000 790.000000 1 121.000000 462.000000 1 122.000000 111.000000 1 123.000000 98.000000 1 124.000000 162.000000 1 125.000000 415.000000 1 125.950000 4061.000000 4 127.000000 5071.000000 4 128.000000 5710.000000 5 129.000000 68548.000000 60 130.000000 17782.000000 15 130.950000 28355.000000 25 132.050000 5103.000000 4 132.950000 77050.000000 67 134.000000 11166.000000 10 135.000000 6316.000000 6 136.000000 538.000000 1 137.000000 292.000000 1 138.000000 170.000000 1 139.000000 401.000000 1 140.000000 2404.000000 2 141.000000 2586.000000 2 142.000000 7655.000000 7 142.950000 16106.000000 14 143.950000 2845.000000 2 145.000000 11983.000000 10 146.050000 3197.000000 3 147.000000 311618.000000 272 148.000000 51113.000000 45 149.000000 35422.000000 31 150.000000 4065.000000 4 150.950000 1803.000000 2 152.000000 948.000000 1 153.000000 327.000000 1 154.000000 1218.000000 1 155.000000 612.000000 1 155.950000 1840.000000 2 157.000000 7658.000000 7 158.000000 10242.000000 9 159.050000 4039.000000 4 160.000000 109250.000000 95 161.000000 26583.000000 23 162.000000 6487.000000 6 162.950000 18725.000000 16 163.950000 2943.000000 3 165.000000 1674.000000 1 166.000000 414.000000 1 167.000000 758.000000 1 168.000000 7689.000000 7 169.000000 1972.000000 2 169.950000 1866.000000 2 170.900000 690.000000 1 171.950000 11240.000000 10 172.950000 8471.000000 7 173.950000 15570.000000 14 174.950000 13405.000000 12 175.950000 2893.000000 3 176.950000 4727.000000 4 178.000000 726.000000 1 179.000000 417.000000 1 180.000000 78.000000 1 181.000000 55.000000 1 182.000000 652.000000 1 182.900000 250.000000 1 183.950000 2438.000000 2 184.900000 831.000000 1 185.950000 2819.000000 2 186.950000 1179.000000 1 187.950000 1913.000000 2 188.950000 176842.000000 154 189.900000 32618.000000 28 190.900000 56716.000000 49 191.900000 8862.000000 8 192.900000 4502.000000 4 193.900000 884.000000 1 194.900000 212.000000 1 195.900000 66.000000 1 196.900000 162.000000 1 197.900000 7876.000000 7 198.900000 1458.000000 1 199.900000 3537.000000 3 200.900000 32826.000000 29 201.900000 7001.000000 6 202.900000 8801.000000 8 203.900000 60780.000000 53 204.900000 74262.000000 65 205.900000 17266.000000 15 206.850000 8697.000000 8 207.900000 1564.000000 1 208.900000 506.000000 1 209.900000 159.000000 1 210.900000 30.000000 1 211.900000 102.000000 1 212.900000 244.000000 1 213.900000 2772.000000 2 214.900000 3422.000000 3 215.950000 19318.000000 17 216.900000 817738.000000 713 217.900000 171046.000000 149 218.900000 74502.000000 65 219.900000 10615.000000 9 220.900000 10441.000000 9 221.900000 1906.000000 2 222.850000 1174.000000 1 223.900000 207.000000 1 224.900000 145.000000 1 225.900000 561.000000 1 226.900000 564.000000 1 227.900000 2794.000000 2 228.850000 1801.000000 2 229.900000 3514.000000 3 230.900000 12730.000000 11 231.900000 7719.000000 7 232.950000 64829.000000 56 233.900000 39239.000000 34 234.900000 11226.000000 10 235.900000 3279.000000 3 236.900000 860.000000 1 237.900000 340.000000 1 238.900000 98.000000 1 239.850000 3259.000000 3 240.950000 1712.000000 1 241.900000 9388.000000 8 242.900000 3142.000000 3 243.900000 3009.000000 3 244.900000 788.000000 1 245.900000 5350.000000 5 246.850000 1317.000000 1 247.950000 7696.000000 7 248.900000 2031.000000 2 249.900000 772.000000 1 250.900000 68.000000 1 252.900000 108.000000 1 253.900000 111.000000 1 254.900000 202.000000 1 255.900000 15441.000000 13 256.900000 8911.000000 8 257.900000 4039.000000 4 258.900000 983.000000 1 259.900000 919.000000 1 260.900000 543.000000 1 261.900000 25574.000000 22 262.900000 6180.000000 5 263.900000 2990.000000 3 264.850000 1155.000000 1 265.800000 310.000000 1 266.800000 106.000000 1 267.800000 58.000000 1 268.800000 46.000000 1 269.800000 63.000000 1 270.800000 164.000000 1 271.900000 4193.000000 4 272.950000 1240.000000 1 273.900000 8948.000000 8 274.900000 1930.000000 2 275.950000 1387.000000 1 276.950000 101952.000000 89 277.900000 28009.000000 24 278.900000 15300.000000 13 279.850000 2965.000000 3 280.900000 868.000000 1 281.900000 113.000000 1 282.900000 24.000000 1 283.900000 29.000000 1 284.900000 122.000000 1 285.900000 146.000000 1 286.900000 233.000000 1 287.900000 11586.000000 10 288.900000 3638.000000 3 289.900000 2500.000000 2 290.900000 10004.000000 9 291.900000 2890.000000 3 292.850000 1511.000000 1 293.900000 431.000000 1 294.900000 89.000000 1 295.900000 118.000000 1 296.900000 60.000000 1 297.900000 58.000000 1 298.900000 34.000000 1 299.900000 154.000000 1 300.900000 206.000000 1 301.950000 3311.000000 3 302.850000 1528.000000 1 303.850000 1455.000000 1 304.900000 4508.000000 4 305.950000 5947.000000 5 306.950000 466065.000000 406 307.950000 128304.000000 112 308.900000 67914.000000 59 309.900000 13113.000000 11 310.850000 2901.000000 3 311.900000 348.000000 1 312.900000 137.000000 1 313.900000 682.000000 1 314.900000 538.000000 1 315.900000 2801.000000 2 316.900000 1097.000000 1 317.850000 1886.000000 2 318.900000 2956.000000 3 319.900000 1678.000000 1 320.900000 798.000000 1 321.900000 233.000000 1 322.900000 116.000000 1 323.900000 55.000000 1 325.900000 81.000000 1 326.900000 14.000000 1 327.900000 170.000000 1 328.900000 161.000000 1 329.900000 8369.000000 7 331.000000 7174.000000 6 331.900000 2735.000000 2 332.850000 1680.000000 1 333.900000 663.000000 1 334.900000 230.000000 1 335.900000 303.000000 1 336.900000 122.000000 1 337.900000 142.000000 1 338.900000 54.000000 1 339.900000 47.000000 1 340.900000 65.000000 1 343.900000 218.000000 1 344.800000 359.000000 1 345.800000 1217.000000 1 346.800000 295.000000 1 347.800000 407.000000 1 348.800000 106.000000 1 349.800000 92.000000 1 350.800000 174.000000 1 351.800000 26.000000 1 352.800000 52.000000 1 353.800000 129.000000 1 354.800000 73.000000 1 355.800000 21.000000 1 356.800000 29.000000 1 357.800000 60.000000 1 358.800000 24.000000 1 359.800000 33.000000 1 360.900000 65.000000 1 361.900000 6426.000000 6 362.900000 2369.000000 2 363.850000 4254.000000 4 364.900000 998.000000 1 365.900000 535.000000 1 366.900000 262.000000 1 367.900000 89.000000 1 368.900000 70.000000 1 369.900000 3.000000 1 370.900000 19.000000 1 371.900000 62.000000 1 374.900000 33.000000 1 375.900000 113.000000 1 376.900000 326.000000 1 377.900000 583.000000 1 378.900000 420.000000 1 379.900000 374.000000 1 380.900000 63.000000 1 381.900000 13.000000 1 382.900000 58.000000 1 383.900000 38.000000 1 385.900000 29.000000 1 386.900000 87.000000 1 387.900000 10.000000 1 388.900000 55.000000 1 389.900000 274.000000 1 390.900000 175.000000 1 391.900000 151.000000 1 392.900000 436.000000 1 393.900000 73.000000 1 394.900000 172.000000 1 395.900000 201.000000 1 398.900000 41.000000 1 399.900000 2.000000 1 402.900000 111.000000 1 403.900000 153.000000 1 404.900000 105.000000 1 405.900000 230.000000 1 406.900000 156.000000 1 407.900000 119.000000 1 408.900000 52.000000 1 409.900000 46.000000 1 410.900000 73.000000 1 412.900000 50.000000 1 413.900000 50.000000 1 414.900000 76.000000 1 415.900000 26.000000 1 416.900000 60.000000 1 417.900000 145.000000 1 418.800000 62.000000 1 419.800000 2017.000000 2 420.800000 2769.000000 2 421.900000 1614.000000 1 422.900000 876.000000 1 423.900000 126.000000 1 424.900000 57.000000 1 425.900000 73.000000 1 426.900000 31.000000 1 427.900000 92.000000 1 428.900000 41.000000 1 431.900000 71.000000 1 432.900000 49.000000 1 433.900000 92.000000 1 435.900000 1866.000000 2 436.900000 815.000000 1 437.900000 415.000000 1 438.900000 119.000000 1 439.900000 66.000000 1 440.900000 111.000000 1 441.900000 92.000000 1 442.900000 70.000000 1 443.900000 82.000000 1 444.900000 36.000000 1 445.900000 118.000000 1 447.900000 111.000000 1 448.900000 55.000000 1 450.900000 66.000000 1 451.850000 1941.000000 2 452.900000 682.000000 1 453.900000 394.000000 1 454.900000 167.000000 1 455.900000 103.000000 1 456.900000 78.000000 1 457.900000 18.000000 1 459.900000 10.000000 1 460.900000 105.000000 1 462.900000 41.000000 1 463.900000 38.000000 1 464.900000 3.000000 1 465.800000 38.000000 1 466.850000 4138.000000 4 467.800000 2450.000000 2 468.800000 951.000000 1 469.800000 292.000000 1 470.800000 26.000000 1 471.800000 86.000000 1 473.800000 95.000000 1 476.800000 65.000000 1 477.800000 122.000000 1 478.800000 76.000000 1 479.800000 2.000000 1 480.800000 78.000000 1 482.800000 65.000000 1 483.800000 2.000000 1 484.800000 33.000000 1 485.800000 66.000000 1 487.800000 2.000000 1 490.800000 29.000000 1 491.800000 90.000000 1 492.800000 13.000000 1 493.800000 79.000000 1 494.800000 13.000000 1 495.800000 159.000000 1 497.800000 38.000000 1 498.800000 73.000000 1 //