MassBank Record: JP006402



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

ACCESSION: JP006402
RECORD_TITLE: UNDECYL BUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: HISAHIRO HAGIWARACHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV., CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: UNDECYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C15H30O2 CH$EXACT_MASS: 242.22458 CH$SMILES: CCCCCCCCCCCOC(=O)CCC CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-14-17-15(16)13-4-2/h3-14H2,1-2H3 CH$LINK: INCHIKEY DPMDQRRFSVRUMR-UHFFFAOYSA-N
AC$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: splash10-0596-9000000000-c3360e532db775ef7f9f PK$NUM_PEAK: 47 PK$PEAK: m/z int. rel.int. 27 18.15 182 28 3.22 32 29 24.07 241 31 1.17 12 39 8.09 81 40 2 20 41 54.85 549 42 18.57 186 43 99.99 999 44 3.52 35 45 1.01 10 53 2.92 29 54 4.9 49 55 41.74 417 56 29.12 291 57 35.71 357 58 1.79 18 60 3.86 39 61 2.21 22 67 4.65 47 68 8.45 85 69 25.83 258 70 30.08 301 71 74.07 741 72 3.09 31 73 2.13 21 81 1.31 13 82 9.2 92 83 23.83 238 84 18.17 182 85 5.88 59 86 1.24 12 88 5.51 55 89 69.72 697 90 2.66 27 96 3.4 34 97 19.19 192 98 8.43 84 99 1.69 17 101 1.24 12 111 7.92 79 112 3.28 33 125 2.98 30 126 6.67 67 144 1.73 17 154 6.98 70 155 1.06 11 //