MassBank Record: MPR01019

Mass Spectrum

Chemical Structure

ACCESSION: MPR01019
RECORD_TITLE: [6]-Gingerol; LC-ESI-TOF; MS; neg; NIB-0169
DATE: 2015.10.30 (Created 2013.04.24)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0169
COMMENT: NIB-0169(-)6gingerol.jdx
COMMENT: SYOUKYOU
CH$NAME: [6]-Gingerol
CH$COMPOUND_CLASS: Natural Product
CH$FORMULA: C17H26O4
CH$EXACT_MASS: 294.18311
CH$SMILES: CCCCC[C@]([H])(O)CC(=O)CCc(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1
CH$LINK: CAS 23513-14-6
CH$LINK: KEGG C10462
CH$LINK: NIKKAJI J46.683B
AC$INSTRUMENT: QSTAR-XL, AB Sciex
AC$INSTRUMENT_TYPE: LC-ESI-TOF
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 35V
AC$MASS_SPECTROMETRY: COLLISION_GAS N2
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 450 C
AC$MASS_SPECTROMETRY: SCAN_RANGE_M/Z 100 to 2000
AC$MASS_SPECTROMETRY: SPRAY_VOLTAGE -5000 V
AC$CHROMATOGRAPHY: COLUMN_NAME KANTO CHEMICAL Mightysil ODS (2.0 x 150 mm x 3um)
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 C
AC$CHROMATOGRAPHY: FLOW_GRADIENT B = 5 to 70 % (30 min) to 100 % (35 min)
AC$CHROMATOGRAPHY: FLOW_RATE 0.2 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 25.607 (min.)
AC$CHROMATOGRAPHY: SOLVENT A:0.1 % AcOH/H2O
AC$CHROMATOGRAPHY: SOLVENT B:0.1 % AcOH/CH3CN
PK$NUM_PEAK: 100
PK$PEAK: m/z int. rel.int.
  277.140 164.279 181
  277.148 176.801 194
  277.155 168.448 185
  277.163 169.691 186
  277.170 211.152 232
  277.177 115.911 127
  277.185 237.923 261
  293.146 103.710 114
  293.153 268.426 295
  293.161 446.704 491
  293.168 574.817 632
  293.176 743.146 817
  293.184 768.674 845
  293.191 687.706 756
  293.199 780.875 858
  293.207 870.723 957
  293.214 739.532 813
  293.222 908.987 999
  293.230 349.095 384
  293.237 216.143 238
  293.245 115.911 127
  294.172 91.509 101
  294.179 128.112 141
  294.187 170.816 188
  294.195 134.213 148
  294.202 114.785 126
  294.210 134.213 148
  294.225 152.515 168
  294.233 91.509 101
  345.192 97.609 107
  380.974 103.696 114
  380.983 163.615 180
  381.018 137.000 151
  381.027 92.809 102
  381.035 111.524 123
  381.044 115.911 127
  381.053 101.385 111
  393.081 92.960 102
  393.099 133.980 147
  393.116 98.270 108
  393.170 127.675 140
  393.178 132.620 146
  393.187 174.592 192
  437.109 157.022 173
  437.118 272.913 300
  437.128 414.840 456
  437.137 488.047 536
  437.146 518.434 570
  437.156 418.572 460
  437.165 280.627 308
  437.174 266.057 292
  437.184 341.633 375
  437.193 305.029 335
  437.202 366.035 402
  437.212 296.604 326
  437.221 292.391 321
  437.230 315.125 346
  437.240 305.029 335
  437.249 244.023 268
  437.258 170.816 188
  437.277 91.509 101
  438.137 103.710 114
  438.147 101.342 111
  438.156 164.716 181
  438.165 115.911 127
  438.203 97.609 107
  444.984 122.012 134
  445.003 105.607 116
  445.021 109.811 121
  445.050 91.509 101
  445.059 109.811 121
  445.097 95.996 106
  585.395 213.521 235
  585.406 317.230 349
  585.417 402.639 443
  585.427 491.823 541
  585.438 542.952 597
  585.449 488.047 536
  585.460 364.375 400
  585.471 420.940 463
  585.482 372.136 409
  585.492 292.828 322
  585.503 297.268 327
  585.514 317.230 349
  585.525 211.196 232
  585.536 207.420 228
  585.546 213.521 235
  585.557 146.400 161
  585.579 122.012 134
  586.401 97.609 107
  586.423 164.716 181
  586.434 183.018 201
  586.444 187.992 207
  586.455 158.615 174
  586.466 170.816 188
  586.477 122.012 134
  586.488 134.213 148
  586.499 109.811 121
  586.520 103.710 114
  586.531 109.811 121
//