MassBank Record: MPR01008

Mass Spectrum

Chemical Structure

ACCESSION: MPR01008
RECORD_TITLE: [6]-Gingerol; LC-ESI-TOF; MS; pos; NIB-0147
DATE: 2015.10.30 (Created 2013.04.19)
AUTHORS: Research Center for Medicinal Plant Resources, NIBIOHN
LICENSE: CC BY-SA
COPYRIGHT: Copyright (c) Research Center for Medicinal Plant Resources, NIBIOHN
COMMENT: NIB-0147
COMMENT: NIB-0147(+)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$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$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$CHROMATOGRAPHY: RETENTION_TIME 25.601 (min.)
AC$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.
  117.079 58.119 48
  117.084 52.624 43
  123.123 49.401 40
  136.884 69.386 57
  136.889 78.637 64
  137.046 122.948 101
  137.051 331.106 271
  137.056 548.815 449
  137.062 625.649 512
  137.067 1161.654 950
  137.072 1082.027 885
  137.077 752.849 616
  137.083 284.785 233
  137.088 117.655 96
  137.297 55.509 45
  138.058 63.035 52
  138.063 95.706 78
  138.068 110.453 90
  138.073 209.898 172
  138.079 94.835 78
  138.084 113.048 92
  141.142 59.835 49
  145.066 103.489 85
  145.072 172.908 141
  145.077 248.867 204
  145.083 249.805 204
  145.088 164.017 134
  145.093 91.370 75
  145.099 113.398 93
  145.104 51.209 42
  177.072 139.052 114
  177.078 329.232 269
  177.084 670.912 549
  177.090 958.669 784
  177.096 1161.300 950
  177.102 1221.519 999
  177.108 848.360 694
  177.114 619.283 506
  177.120 384.169 314
  177.126 202.845 166
  177.131 78.188 64
  178.085 55.509 45
  178.091 87.719 72
  178.096 189.355 155
  178.102 133.958 110
  178.108 156.975 128
  178.114 134.033 110
  178.120 97.744 80
  178.132 74.348 61
  179.076 126.825 104
  179.082 233.666 191
  179.088 206.361 169
  179.094 165.628 135
  179.100 156.227 128
  179.106 81.766 67
  179.112 82.065 67
  179.118 47.972 39
  241.038 60.939 50
  241.045 73.562 60
  241.052 111.691 91
  241.059 69.812 57
  251.057 49.985 41
  259.174 106.698 87
  259.181 143.005 117
  259.188 73.619 60
  259.196 122.590 100
  259.203 82.576 68
  259.210 74.864 61
  277.178 202.457 166
  277.185 238.327 195
  277.193 238.043 195
  277.200 191.359 156
  277.208 177.482 145
  277.215 150.154 123
  277.223 66.211 54
  277.230 79.205 65
  277.237 64.900 53
  277.245 55.214 45
  294.213 108.522 89
  294.220 59.060 48
  294.236 56.929 47
  308.057 56.038 46
  314.159 61.342 50
  314.183 84.068 69
  314.191 88.694 73
  314.199 74.414 61
  314.207 51.220 42
  314.215 55.793 46
  461.286 55.509 45
  469.250 51.412 42
  469.260 78.637 64
  469.279 74.012 61
  470.228 74.012 61
  470.238 120.269 98
  470.248 92.515 76
  470.277 60.134 49
  470.316 55.509 45
  470.325 55.509 45
  470.732 55.509 45
  470.752 55.509 45
//