MassBank Record: CA000169



 Ricinoleic acid; FAB-EBEB; MS2; m/z: 297.24; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: CA000169
RECORD_TITLE: Ricinoleic acid; FAB-EBEB; MS2; m/z: 297.24; [M-H]-
DATE: 2016.01.19 (2007.03.15, 2011.05.10)
AUTHORS: Akimoto NGraduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
LICENSE: CC BY-SA
COMMENT: Profile spectrum of this record is given as a JPEG file.
COMMENT: [Profile] CA000169.jpg

CH$NAME: Ricinoleic acid CH$COMPOUND_CLASS: Natural Product; Lipid CH$FORMULA: C18H34O3 CH$EXACT_MASS: 298.25079 CH$SMILES: CCCCCCC(O)CC=CCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C18H34O3/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21/h9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21)/b12-9- CH$LINK: CHEMSPIDER 4446069 CH$LINK: LIPIDMAPS LMFA01050108 CH$LINK: PUBCHEM 5282942 CH$LINK: INCHIKEY WBHHMMIMDMUBKC-XFXZXTDPSA-N
AC$INSTRUMENT: JMS-HX/HX 110A, JEOL AC$INSTRUMENT_TYPE: FAB-EBEB AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: ATOM_GUN_CURRENT 5 mA AC$MASS_SPECTROMETRY: BOMBARDMENT 6 kV xenon AC$MASS_SPECTROMETRY: COLLISION_ENERGY 3 kV AC$MASS_SPECTROMETRY: COLLISION_GAS Ar AC$MASS_SPECTROMETRY: GAS_PRESSURE adjust to attenuate the intensity of the precursor ion by 30 % AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX 1-2 uL m-NBA AC$MASS_SPECTROMETRY: PROBE_TIP stainless-steel
MS$FOCUSED_ION: BASE_PEAK 297.3250 MS$FOCUSED_ION: PRECURSOR_M/Z 297.24 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0190000000-4023533baf754d004cfc PK$NUM_PEAK: 156 PK$PEAK: m/z int. rel.int. 15.8935 0.01 0 16.8893 0.02 0 24.8729 0.01 0 26.8864 0.03 0 37.8978 0.01 0 38.9417 0.01 0 39.9452 0.01 0 40.9357 0.03 0 42.9167 0.01 0 43.8957 0.13 1 44.8969 0.04 0 50.9480 0.01 0 53.9122 0.01 0 54.9362 0.03 0 57.9029 1.12 11 58.9033 0.05 0 66.6991 0.01 0 68.9542 0.01 0 70.8976 1.52 15 71.9137 0.16 2 72.9131 0.01 0 80.7935 0.01 0 81.0380 0.01 0 82.9406 0.01 0 83.9202 0.01 0 84.9574 0.02 0 85.9431 0.21 2 86.9935 0.01 0 94.9540 0.01 0 96.9106 0.01 0 97.0828 0.01 0 98.9688 0.33 3 99.9766 0.13 1 109.0169 0.02 0 111.0488 0.02 0 113.0543 0.78 8 114.0277 0.06 1 114.9567 0.02 0 115.1026 0.01 0 125.0504 0.01 0 125.6690 0.01 0 127.0620 3.56 36 128.0711 0.08 1 129.0128 0.01 0 130.9857 0.01 0 135.1750 0.01 0 137.1312 0.01 0 139.0068 0.02 0 139.2240 0.01 0 141.0565 0.25 2 142.1100 0.01 0 142.9392 0.01 0 153.1007 0.04 0 155.0756 0.09 1 160.7080 0.01 0 160.8910 0.01 0 161.3007 0.01 0 163.0772 0.02 0 165.0962 0.09 1 167.0758 0.19 2 168.0257 0.01 0 169.1068 0.10 1 170.9500 0.01 0 176.4832 0.01 0 179.1637 0.01 0 180.1020 0.01 0 180.6230 0.01 0 181.1319 3.73 37 182.1351 1.43 14 182.4590 0.02 0 183.1542 7.69 77 184.2054 0.01 0 185.1223 0.02 0 191.1351 0.01 0 193.1688 0.01 0 195.1249 0.38 4 196.1251 0.01 0 197.1328 0.04 0 198.1597 0.01 0 203.7112 0.01 0 207.1145 0.01 0 208.1376 0.01 0 209.1395 0.27 3 210.0204 0.01 0 210.3798 0.01 0 210.5817 0.02 0 211.1266 2.66 27 211.6138 0.02 0 212.1151 0.03 0 212.3855 0.01 0 213.1334 0.02 0 221.2159 0.03 0 223.2431 0.28 3 223.5968 0.01 0 225.2484 0.17 2 226.1806 0.01 0 227.2217 0.03 0 235.1264 0.01 0 235.3507 0.01 0 236.2058 0.01 0 237.2509 0.58 6 238.1232 0.02 0 239.2110 0.35 3 240.1652 0.01 0 241.1734 0.03 0 245.1842 0.01 0 248.5681 0.01 0 249.1572 0.02 0 250.1203 0.01 0 251.1875 0.41 4 251.5499 0.01 0 252.2805 0.01 0 252.7469 0.01 0 253.1721 0.59 6 254.1597 0.04 0 255.1738 0.05 0 258.4749 0.01 0 261.2852 0.03 0 263.2744 0.03 0 265.2370 0.11 1 265.5646 0.01 0 267.2140 0.78 8 267.6604 0.01 0 267.8238 0.01 0 268.2001 0.01 0 268.6046 0.01 0 269.1897 0.03 0 271.2039 0.01 0 273.3060 0.09 1 277.2490 0.26 3 278.2963 0.17 2 279.3611 8.15 81 280.2727 0.02 0 281.2466 0.48 5 281.8455 0.01 0 282.2820 0.01 0 282.6083 0.01 0 282.8965 0.01 0 283.3082 0.03 0 288.7477 0.03 0 289.0687 0.01 0 289.7066 0.04 0 293.2958 0.27 3 295.3172 2.62 26 297.3250 99.97 999 298.1956 1.37 14 298.7408 0.56 6 299.1984 0.20 2 299.6346 0.08 1 299.9724 0.06 1 300.1856 0.04 0 300.4500 0.02 0 300.7838 0.01 0 301.1018 0.01 0 302.2536 0.01 0 302.9461 0.01 0 //