MassBank Record: GLS00069



 L-(-)-Proline; EI-B; MS; 2 TMS; RT: 468.20 s 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: GLS00069
RECORD_TITLE: L-(-)-Proline; EI-B; MS; 2 TMS; RT: 468.20 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: GL Sciences Inc.
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$NAME: L-(-)-Proline CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C5H9NO2 CH$EXACT_MASS: 115.06333 CH$SMILES: OC(=O)C(C1)NCC1 CH$IUPAC: InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1 CH$LINK: CAS 147-85-3 CH$LINK: CHEBI 17203 CH$LINK: KEGG C00148 CH$LINK: PUBCHEM 3448
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$CHROMATOGRAPHY: RETENTION_INDEX 1307 AC$CHROMATOGRAPHY: RETENTION_TIME 468.20 AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-0006-0900000000-0d7354201ed866c87b13 PK$NUM_PEAK: 353 PK$PEAK: m/z int. rel.int. 86.100000 585.000000 6 87.100000 327.000000 3 88.100000 146.000000 1 89.100000 266.000000 3 90.100000 18.000000 1 91.100000 87.000000 1 92.100000 198.000000 2 93.100000 178.000000 2 94.100000 38.000000 1 95.100000 206.000000 2 96.100000 404.000000 4 97.100000 266.000000 3 98.100000 409.000000 4 99.100000 567.000000 6 100.200000 1844.000000 18 101.200000 503.000000 5 102.200000 286.000000 3 103.050000 1384.000000 13 104.000000 174.000000 2 105.000000 177.000000 2 106.000000 126.000000 1 107.000000 447.000000 4 108.000000 199.000000 2 109.000000 102.000000 1 110.000000 140.000000 1 111.000000 108.000000 1 112.000000 119.000000 1 113.000000 750.000000 7 114.400000 839.000000 8 115.400000 471.000000 5 116.400000 231.000000 2 117.400000 180.000000 2 118.400000 158.000000 2 119.400000 193.000000 2 121.400000 14.000000 1 122.400000 74.000000 1 123.400000 16.000000 1 124.400000 82.000000 1 125.400000 46.000000 1 126.400000 223.000000 2 127.400000 255.000000 2 128.400000 106.000000 1 129.400000 106.000000 1 130.000000 108.000000 1 131.000000 1166.000000 11 132.000000 214.000000 2 133.050000 1257.000000 12 134.000000 225.000000 2 135.000000 268.000000 3 136.000000 76.000000 1 137.000000 89.000000 1 138.000000 135.000000 1 139.000000 116.000000 1 140.000000 830.000000 8 141.100000 553.000000 5 142.150000 102667.000000 999 143.150000 12452.000000 121 144.150000 4087.000000 40 145.200000 366.000000 4 146.100000 41.000000 1 147.100000 6777.000000 66 148.100000 922.000000 9 149.100000 599.000000 6 150.100000 100.000000 1 152.100000 110.000000 1 153.100000 98.000000 1 154.100000 74.000000 1 155.100000 87.000000 1 156.100000 132.000000 1 157.100000 103.000000 1 158.100000 295.000000 3 159.100000 42.000000 1 160.100000 92.000000 1 161.100000 119.000000 1 162.100000 108.000000 1 163.100000 68.000000 1 165.100000 71.000000 1 166.100000 134.000000 1 167.100000 87.000000 1 168.100000 79.000000 1 169.100000 97.000000 1 170.100000 583.000000 6 171.100000 153.000000 1 172.100000 510.000000 5 173.100000 191.000000 2 174.100000 247.000000 2 175.100000 390.000000 4 176.100000 190.000000 2 177.100000 167.000000 2 178.100000 132.000000 1 179.100000 63.000000 1 180.100000 49.000000 1 181.100000 103.000000 1 182.100000 65.000000 1 183.100000 27.000000 1 184.100000 95.000000 1 185.100000 58.000000 1 186.100000 367.000000 4 187.100000 174.000000 2 188.100000 73.000000 1 189.100000 140.000000 1 190.100000 138.000000 1 191.100000 130.000000 1 192.100000 102.000000 1 194.100000 33.000000 1 195.100000 105.000000 1 196.100000 174.000000 2 197.100000 54.000000 1 198.100000 74.000000 1 199.100000 86.000000 1 200.100000 57.000000 1 201.100000 84.000000 1 202.100000 68.000000 1 203.100000 94.000000 1 204.100000 22.000000 1 206.100000 46.000000 1 207.100000 620.000000 6 208.100000 202.000000 2 209.100000 105.000000 1 211.100000 82.000000 1 212.100000 66.000000 1 213.100000 111.000000 1 214.100000 36.000000 1 215.100000 50.000000 1 216.150000 5088.000000 50 217.100000 1154.000000 11 218.100000 852.000000 8 219.100000 610.000000 6 220.100000 16.000000 1 221.100000 63.000000 1 222.100000 29.000000 1 223.100000 87.000000 1 224.100000 27.000000 1 225.100000 36.000000 1 226.100000 71.000000 1 227.100000 26.000000 1 228.100000 55.000000 1 229.100000 44.000000 1 230.100000 158.000000 2 231.100000 34.000000 1 232.100000 18.000000 1 234.100000 34.000000 1 235.100000 58.000000 1 236.100000 26.000000 1 237.100000 114.000000 1 238.100000 3.000000 1 239.100000 8.000000 1 240.100000 81.000000 1 242.100000 209.000000 2 243.100000 22.000000 1 244.100000 842.000000 8 245.100000 110.000000 1 247.100000 52.000000 1 248.100000 10.000000 1 249.100000 130.000000 1 250.100000 42.000000 1 251.100000 103.000000 1 252.100000 78.000000 1 253.100000 508.000000 5 254.100000 170.000000 2 255.100000 70.000000 1 256.100000 55.000000 1 258.100000 185.000000 2 259.100000 60.000000 1 260.100000 14.000000 1 263.100000 13.000000 1 264.100000 150.000000 1 265.100000 13.000000 1 266.100000 55.000000 1 267.100000 3.000000 1 268.100000 66.000000 1 269.100000 103.000000 1 270.100000 41.000000 1 271.100000 94.000000 1 272.100000 36.000000 1 273.100000 62.000000 1 275.100000 89.000000 1 276.100000 11.000000 1 277.100000 57.000000 1 278.100000 26.000000 1 280.100000 24.000000 1 281.100000 106.000000 1 282.100000 78.000000 1 284.100000 18.000000 1 286.100000 95.000000 1 287.100000 39.000000 1 289.100000 11.000000 1 290.100000 60.000000 1 292.100000 6.000000 1 293.100000 26.000000 1 294.100000 14.000000 1 295.100000 2.000000 1 296.100000 97.000000 1 297.100000 5.000000 1 298.100000 49.000000 1 299.100000 5.000000 1 300.100000 81.000000 1 301.100000 60.000000 1 302.100000 92.000000 1 303.100000 26.000000 1 304.100000 102.000000 1 305.100000 95.000000 1 306.100000 98.000000 1 307.100000 65.000000 1 308.100000 30.000000 1 309.100000 87.000000 1 310.100000 84.000000 1 311.100000 26.000000 1 312.100000 126.000000 1 313.100000 39.000000 1 315.100000 121.000000 1 316.100000 70.000000 1 317.100000 84.000000 1 318.100000 54.000000 1 319.100000 58.000000 1 321.100000 31.000000 1 322.100000 54.000000 1 324.100000 22.000000 1 325.100000 11.000000 1 326.100000 74.000000 1 327.100000 62.000000 1 328.100000 62.000000 1 329.100000 14.000000 1 331.100000 234.000000 2 332.100000 14.000000 1 333.100000 21.000000 1 335.100000 44.000000 1 336.100000 66.000000 1 338.100000 10.000000 1 339.100000 86.000000 1 340.100000 60.000000 1 341.100000 127.000000 1 343.100000 74.000000 1 344.100000 3.000000 1 345.100000 55.000000 1 346.100000 134.000000 1 347.100000 31.000000 1 349.100000 52.000000 1 350.100000 158.000000 2 351.100000 21.000000 1 352.100000 46.000000 1 353.100000 14.000000 1 354.100000 82.000000 1 355.100000 49.000000 1 356.100000 71.000000 1 357.100000 30.000000 1 359.100000 52.000000 1 361.100000 60.000000 1 364.100000 49.000000 1 365.100000 70.000000 1 366.100000 18.000000 1 367.100000 13.000000 1 368.100000 41.000000 1 369.100000 10.000000 1 370.100000 21.000000 1 371.100000 14.000000 1 373.100000 10.000000 1 374.100000 78.000000 1 375.100000 78.000000 1 376.100000 55.000000 1 377.100000 135.000000 1 380.100000 94.000000 1 381.100000 58.000000 1 382.100000 49.000000 1 383.100000 38.000000 1 384.100000 10.000000 1 385.100000 50.000000 1 389.100000 42.000000 1 391.100000 42.000000 1 392.100000 66.000000 1 394.100000 8.000000 1 396.100000 44.000000 1 397.100000 44.000000 1 398.100000 33.000000 1 400.100000 84.000000 1 404.100000 46.000000 1 405.100000 121.000000 1 406.100000 42.000000 1 407.100000 63.000000 1 408.100000 3.000000 1 409.100000 97.000000 1 410.100000 5.000000 1 411.100000 6.000000 1 412.100000 58.000000 1 413.100000 113.000000 1 414.100000 49.000000 1 415.100000 38.000000 1 416.100000 86.000000 1 417.100000 31.000000 1 418.100000 68.000000 1 419.100000 52.000000 1 420.100000 74.000000 1 421.100000 46.000000 1 422.100000 79.000000 1 425.100000 52.000000 1 426.100000 73.000000 1 427.100000 49.000000 1 429.100000 65.000000 1 430.100000 82.000000 1 431.100000 94.000000 1 433.100000 60.000000 1 434.100000 19.000000 1 435.100000 79.000000 1 436.100000 10.000000 1 437.100000 57.000000 1 439.100000 49.000000 1 440.100000 70.000000 1 441.100000 18.000000 1 442.100000 6.000000 1 443.100000 44.000000 1 444.100000 38.000000 1 446.100000 79.000000 1 447.100000 60.000000 1 448.100000 145.000000 1 449.100000 137.000000 1 450.100000 138.000000 1 451.100000 46.000000 1 452.100000 14.000000 1 454.100000 39.000000 1 455.100000 87.000000 1 456.100000 36.000000 1 458.100000 66.000000 1 459.100000 42.000000 1 461.100000 36.000000 1 462.100000 100.000000 1 463.100000 84.000000 1 464.100000 49.000000 1 465.100000 31.000000 1 466.100000 27.000000 1 467.100000 113.000000 1 469.100000 140.000000 1 470.100000 95.000000 1 471.100000 27.000000 1 473.100000 76.000000 1 474.100000 52.000000 1 475.100000 118.000000 1 477.100000 26.000000 1 478.100000 5.000000 1 479.100000 84.000000 1 480.100000 34.000000 1 481.100000 8.000000 1 482.100000 5.000000 1 483.100000 87.000000 1 484.100000 55.000000 1 488.100000 87.000000 1 489.100000 24.000000 1 490.100000 42.000000 1 491.100000 16.000000 1 493.100000 76.000000 1 494.100000 11.000000 1 497.100000 86.000000 1 498.100000 118.000000 1 499.100000 29.000000 1 //