MassBank Record: GLS00065



 4-Hydroxybenzyl alcohol; EI-B; MS; 2 TMS; RT: 586.59 s 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: GLS00065
RECORD_TITLE: 4-Hydroxybenzyl alcohol; EI-B; MS; 2 TMS; RT: 586.59 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$NAME: 4-Hydroxybenzyl alcohol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C7H8O2 CH$EXACT_MASS: 124.05243 CH$SMILES: OCc(c1)ccc(O)c1 CH$IUPAC: InChI=1S/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2 CH$LINK: CAS 623-05-2 CH$LINK: KEGG C17467 CH$LINK: PUBCHEM 96023815
AC$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 1512 AC$CHROMATOGRAPHY: RETENTION_TIME 586.59 AC$CHROMATOGRAPHY: TRANSFARLINE_TEMPERATURE 250 C
MS$FOCUSED_ION: DERIVATIVE_TYPE 2 TMS MS$DATA_PROCESSING: WHOLE GCMSsolution
PK$SPLASH: splash10-0gdi-0970000000-2415f3f14aceb1b2477b PK$NUM_PEAK: 359 PK$PEAK: m/z int. rel.int. 86.000000 415.000000 1 87.050000 5137.000000 8 88.050000 863.000000 1 89.050000 33109.000000 51 90.050000 15005.000000 23 91.050000 19487.000000 30 92.050000 1737.000000 3 93.000000 2460.000000 4 94.100000 442.000000 1 95.050000 6022.000000 9 96.050000 1798.000000 3 97.050000 2619.000000 4 98.000000 708.000000 1 99.000000 1073.000000 2 100.000000 524.000000 1 101.000000 1226.000000 2 102.050000 3650.000000 6 103.100000 19634.000000 30 104.100000 22150.000000 34 105.100000 25490.000000 39 106.050000 38040.000000 59 107.100000 8074.000000 12 108.000000 884.000000 1 109.000000 2262.000000 3 110.100000 522.000000 1 111.100000 3548.000000 5 111.900000 1596.000000 2 112.900000 617.000000 1 113.900000 230.000000 1 115.100000 3188.000000 5 116.100000 770.000000 1 117.100000 5482.000000 8 118.150000 2526.000000 4 119.100000 51876.000000 80 120.050000 7336.000000 11 121.050000 5681.000000 9 122.100000 860.000000 1 123.100000 2967.000000 5 124.100000 434.000000 1 125.100000 178.000000 1 126.650000 4130.000000 6 127.600000 588.000000 1 128.600000 271.000000 1 129.600000 247.000000 1 131.050000 9237.000000 14 132.150000 1502.000000 2 133.050000 23854.000000 37 134.100000 4401.000000 7 135.100000 12031.000000 19 136.150000 1572.000000 2 137.100000 3354.000000 5 138.100000 428.000000 1 139.100000 196.000000 1 140.100000 73.000000 1 141.100000 154.000000 1 142.100000 89.000000 1 143.050000 1354.000000 2 144.100000 370.000000 1 145.100000 4930.000000 8 146.150000 1673.000000 3 147.150000 297076.000000 457 148.150000 46269.000000 71 149.150000 52250.000000 80 150.150000 7530.000000 12 151.100000 17260.000000 27 152.100000 2521.000000 4 153.100000 924.000000 1 154.100000 250.000000 1 155.100000 142.000000 1 156.100000 223.000000 1 157.100000 225.000000 1 158.100000 159.000000 1 159.100000 1100.000000 2 160.100000 247.000000 1 161.100000 9062.000000 14 162.100000 2834.000000 4 163.100000 52756.000000 81 164.100000 15434.000000 24 165.100000 15868.000000 24 166.100000 3070.000000 5 167.050000 1227.000000 2 168.000000 194.000000 1 169.000000 90.000000 1 170.000000 22.000000 1 171.000000 57.000000 1 172.000000 166.000000 1 173.000000 204.000000 1 174.000000 76.000000 1 175.100000 1284.000000 2 176.100000 742.000000 1 177.100000 13966.000000 22 178.150000 10466.000000 16 179.100000 648850.000000 999 180.100000 106567.000000 164 181.100000 30652.000000 47 182.150000 3142.000000 5 183.100000 402.000000 1 184.100000 46.000000 1 185.100000 65.000000 1 186.100000 81.000000 1 187.100000 103.000000 1 188.100000 41.000000 1 189.100000 298.000000 1 190.100000 3884.000000 6 191.100000 6746.000000 10 192.150000 2852.000000 4 193.050000 30769.000000 47 194.100000 5505.000000 8 195.050000 3893.000000 6 196.000000 604.000000 1 197.000000 338.000000 1 200.000000 58.000000 1 201.000000 169.000000 1 202.000000 31.000000 1 203.000000 167.000000 1 204.000000 114.000000 1 205.000000 273.000000 1 206.100000 353.000000 1 207.100000 9874.000000 15 208.050000 2060.000000 3 209.050000 30149.000000 46 210.050000 5920.000000 9 211.000000 2932.000000 5 212.000000 356.000000 1 213.000000 217.000000 1 214.000000 54.000000 1 215.000000 140.000000 1 216.000000 113.000000 1 217.000000 430.000000 1 218.000000 97.000000 1 219.050000 2048.000000 3 220.000000 337.000000 1 221.000000 1409.000000 2 222.100000 508.000000 1 223.100000 45777.000000 70 224.100000 9497.000000 15 225.050000 17866.000000 28 226.050000 4457.000000 7 227.100000 1708.000000 3 228.100000 289.000000 1 229.100000 31.000000 1 230.100000 46.000000 1 231.100000 70.000000 1 232.100000 46.000000 1 233.100000 207.000000 1 234.100000 118.000000 1 235.050000 9354.000000 14 236.150000 2367.000000 4 237.100000 39935.000000 61 238.050000 8658.000000 13 239.050000 3750.000000 6 240.000000 639.000000 1 241.000000 151.000000 1 242.000000 42.000000 1 244.000000 145.000000 1 246.000000 113.000000 1 247.000000 100.000000 1 248.000000 81.000000 1 249.000000 254.000000 1 250.100000 185.000000 1 251.100000 7006.000000 11 252.150000 3595.000000 6 253.100000 334153.000000 514 254.100000 70758.000000 109 255.100000 29999.000000 46 256.100000 4817.000000 7 257.100000 863.000000 1 258.100000 103.000000 1 259.100000 26.000000 1 260.100000 47.000000 1 261.100000 111.000000 1 262.100000 58.000000 1 263.100000 73.000000 1 264.100000 182.000000 1 265.150000 1569.000000 2 266.150000 1396.000000 2 267.150000 237554.000000 366 268.150000 334986.000000 516 269.150000 84690.000000 130 270.150000 31305.000000 48 271.150000 4939.000000 8 272.100000 847.000000 1 273.100000 105.000000 1 275.100000 81.000000 1 276.100000 138.000000 1 277.100000 49.000000 1 278.100000 27.000000 1 279.100000 13.000000 1 280.100000 26.000000 1 281.100000 39.000000 1 282.100000 138.000000 1 283.100000 65.000000 1 285.100000 30.000000 1 286.100000 29.000000 1 287.100000 13.000000 1 288.100000 65.000000 1 290.100000 95.000000 1 291.100000 42.000000 1 292.100000 54.000000 1 293.100000 57.000000 1 294.100000 24.000000 1 295.100000 124.000000 1 297.100000 41.000000 1 298.100000 65.000000 1 300.100000 68.000000 1 301.100000 38.000000 1 304.100000 2.000000 1 305.100000 52.000000 1 307.100000 68.000000 1 308.100000 47.000000 1 309.100000 68.000000 1 311.100000 22.000000 1 312.100000 76.000000 1 313.100000 22.000000 1 314.100000 62.000000 1 315.100000 19.000000 1 317.100000 82.000000 1 318.100000 31.000000 1 320.100000 106.000000 1 321.100000 36.000000 1 322.100000 29.000000 1 324.100000 16.000000 1 325.100000 13.000000 1 326.100000 58.000000 1 327.100000 65.000000 1 328.100000 124.000000 1 329.100000 62.000000 1 330.100000 95.000000 1 331.100000 194.000000 1 332.100000 58.000000 1 333.100000 86.000000 1 334.100000 81.000000 1 335.100000 41.000000 1 336.100000 71.000000 1 337.100000 146.000000 1 339.100000 97.000000 1 340.100000 54.000000 1 341.100000 65.000000 1 343.100000 71.000000 1 344.100000 108.000000 1 345.100000 14.000000 1 346.100000 180.000000 1 347.100000 58.000000 1 348.100000 49.000000 1 350.100000 62.000000 1 351.100000 57.000000 1 352.100000 10.000000 1 353.100000 140.000000 1 354.100000 13.000000 1 356.100000 76.000000 1 357.100000 22.000000 1 359.100000 65.000000 1 360.100000 63.000000 1 361.100000 146.000000 1 362.100000 74.000000 1 363.100000 8.000000 1 365.100000 42.000000 1 366.100000 78.000000 1 367.100000 39.000000 1 369.100000 18.000000 1 371.100000 46.000000 1 372.100000 29.000000 1 374.100000 110.000000 1 376.100000 18.000000 1 378.100000 65.000000 1 379.100000 26.000000 1 380.100000 70.000000 1 381.100000 5.000000 1 383.100000 106.000000 1 384.100000 58.000000 1 386.100000 29.000000 1 387.100000 26.000000 1 389.100000 92.000000 1 390.100000 26.000000 1 392.100000 60.000000 1 394.100000 13.000000 1 395.100000 55.000000 1 396.100000 74.000000 1 397.100000 78.000000 1 400.100000 31.000000 1 402.100000 31.000000 1 403.100000 92.000000 1 404.100000 24.000000 1 405.100000 52.000000 1 407.100000 114.000000 1 408.100000 47.000000 1 409.100000 31.000000 1 410.100000 79.000000 1 412.100000 55.000000 1 413.100000 57.000000 1 414.100000 116.000000 1 416.100000 87.000000 1 417.100000 63.000000 1 418.100000 44.000000 1 419.100000 62.000000 1 421.100000 68.000000 1 422.100000 58.000000 1 424.100000 66.000000 1 425.100000 86.000000 1 427.100000 5.000000 1 428.100000 24.000000 1 429.100000 65.000000 1 430.100000 30.000000 1 431.100000 52.000000 1 432.100000 5.000000 1 433.100000 22.000000 1 434.100000 18.000000 1 435.100000 50.000000 1 436.100000 8.000000 1 439.100000 71.000000 1 440.100000 16.000000 1 441.100000 54.000000 1 442.100000 57.000000 1 443.100000 78.000000 1 444.100000 119.000000 1 445.100000 76.000000 1 446.100000 52.000000 1 447.100000 63.000000 1 448.100000 145.000000 1 449.100000 34.000000 1 450.100000 68.000000 1 451.100000 87.000000 1 452.100000 82.000000 1 454.100000 31.000000 1 455.100000 52.000000 1 457.100000 55.000000 1 458.100000 95.000000 1 459.100000 52.000000 1 460.100000 26.000000 1 462.100000 97.000000 1 463.100000 39.000000 1 464.100000 84.000000 1 466.100000 76.000000 1 467.100000 33.000000 1 468.100000 65.000000 1 469.100000 166.000000 1 470.100000 65.000000 1 471.100000 22.000000 1 472.100000 68.000000 1 473.100000 22.000000 1 475.100000 30.000000 1 476.100000 54.000000 1 477.100000 13.000000 1 478.100000 5.000000 1 479.100000 82.000000 1 480.100000 65.000000 1 482.100000 11.000000 1 483.100000 36.000000 1 484.100000 76.000000 1 485.100000 58.000000 1 488.100000 31.000000 1 490.100000 73.000000 1 491.100000 57.000000 1 493.100000 24.000000 1 494.100000 73.000000 1 495.100000 41.000000 1 496.100000 29.000000 1 498.100000 24.000000 1 499.100000 14.000000 1 //