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 (Created 2007.03.15, modified 2011.05.10)
AUTHORS: Akimoto N, 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$LINK: PUBCHEM 5282942
AC$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 //