ACCESSION: MSBNK-Kyoto_Univ-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$LINK: PUBCHEM CID:5282942
CH$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
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  170.9500 0.01 0
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  182.1351 1.43 14
  182.4590 0.02 0
  183.1542 7.69 77
  184.2054 0.01 0
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  263.2744 0.03 0
  265.2370 0.11 1
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  273.3060 0.09 1
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  278.2963 0.17 2
  279.3611 8.15 81
  280.2727 0.02 0
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  295.3172 2.62 26
  297.3250 99.97 999
  298.1956 1.37 14
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  300.4500 0.02 0
  300.7838 0.01 0
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  302.2536 0.01 0
  302.9461 0.01 0
//