MassBank Record: MPR01009

Mass Spectrum

Chemical Structure

ACCESSION: MPR01009
RECORD_TITLE: [6]-Gingerol; LC-ESI-TOF; MS; pos; NIB-0169
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-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$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$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$CHROMATOGRAPHY: RETENTION_TIME 25.604 (min.)
AC$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 83.181 58
  123.128 66.569 46
  136.879 78.167 54
  136.884 101.157 70
  136.894 87.363 61
  137.056 382.775 267
  137.062 482.797 336
  137.067 1085.342 756
  137.072 1060.691 739
  137.077 802.246 559
  137.083 297.008 207
  137.297 105.755 74
  138.063 185.604 129
  138.068 135.698 94
  138.073 212.743 148
  138.079 115.848 81
  138.084 115.288 80
  138.089 92.409 64
  145.066 159.249 111
  145.072 291.471 203
  145.077 355.283 247
  145.083 318.835 222
  145.088 207.809 145
  145.093 143.100 100
  145.099 86.433 60
  145.104 64.507 45
  149.050 106.805 74
  177.072 125.957 88
  177.078 459.463 320
  177.084 727.052 506
  177.090 1093.406 761
  177.096 1324.911 923
  177.102 1434.725 999
  177.108 961.675 670
  177.114 516.202 359
  177.120 278.391 194
  177.126 166.766 116
  178.085 78.333 55
  178.091 146.208 102
  178.096 134.122 93
  178.102 221.267 154
  178.108 177.930 124
  178.114 146.910 102
  178.120 115.086 80
  178.126 69.195 48
  179.082 203.806 142
  179.088 137.993 96
  179.094 174.567 122
  179.100 134.200 93
  179.106 139.239 97
  179.112 62.517 44
  223.100 90.142 63
  241.052 92.480 64
  241.066 87.811 61
  241.080 62.986 44
  259.160 74.241 52
  259.167 136.547 95
  259.174 157.118 109
  259.181 184.595 129
  259.188 188.311 131
  259.196 146.876 102
  259.203 74.789 52
  259.210 84.229 59
  277.156 68.134 47
  277.163 82.085 57
  277.171 128.275 89
  277.178 187.892 131
  277.185 267.186 186
  277.193 292.843 204
  277.200 224.938 157
  277.208 148.094 103
  277.215 161.478 112
  277.223 96.350 67
  277.230 78.583 55
  277.237 100.948 70
  277.245 74.607 52
  277.252 64.373 45
  294.182 63.222 44
  294.190 141.546 99
  294.197 150.794 105
  294.205 155.392 108
  294.213 143.371 100
  294.220 115.533 80
  294.228 68.396 48
  294.236 59.304 41
  294.243 59.228 41
  314.175 73.735 51
  314.183 96.725 67
  314.199 91.961 64
  314.207 69.137 48
  352.120 59.775 42
  469.250 73.569 51
  469.260 59.775 42
  470.228 105.755 74
  470.238 73.569 51
  470.248 59.775 42
  470.257 82.765 58
  470.267 64.373 45
  470.277 68.971 48
  470.296 82.765 58
//