MassBank Record: JP010864



 EICOSANO1C ACID; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP010864
RECORD_TITLE: EICOSANO1C ACID; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: EICOSANO1C ACID CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H40O2 CH$EXACT_MASS: 312.30283 CH$SMILES: CCCCCCCCCCCCCCCCCCCC(O)=O CH$IUPAC: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22) CH$LINK: INCHIKEY VKOBVWXKNCXXDE-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID1060134
AC$INSTRUMENT: HITACHI M-80B AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0596-9100000000-53a544b7fbf2ee3b176a PK$NUM_PEAK: 63 PK$PEAK: m/z int. rel.int. 27 9.3 93 39 7.1 71 41 67.7 677 42 12.5 125 43 99.99 999 45 6.6 66 53 4 40 54 5.5 55 55 66.5 665 56 12.4 124 57 81 810 58 1.2 12 59 2.2 22 60 79.8 798 61 21.5 215 67 7.8 78 68 6.3 63 69 28.6 286 70 8.6 86 71 29 290 72 2.9 29 73 87 870 74 6.7 67 79 1.9 19 81 6.2 62 82 5.8 58 83 22.3 223 84 9.8 98 85 19.5 195 87 14.3 143 88 2.1 21 95 4.3 43 96 4.3 43 97 17.3 173 98 10.7 107 99 6.3 63 101 6.6 66 102 2.4 24 109 1.7 17 110 1.8 18 112 3.4 34 113 3.9 39 115 9.1 91 116 5.1 51 125 4.6 46 126 1.2 12 127 2.1 21 129 24.5 245 130 2.7 27 139 1.8 18 141 1.2 12 143 2.8 28 157 3.3 33 171 5.1 51 185 6.6 66 199 1.3 13 213 5.7 57 227 4.1 41 241 1.8 18 255 1.2 12 269 9.4 94 270 1.7 17 283 1.5 15 //

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