MassBank Record: JP006425



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

ACCESSION: JP006425
RECORD_TITLE: HEPTYL HEPTANOATE; 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$NAME: HEPTYL HEPTANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H28O2 CH$EXACT_MASS: 228.20893 CH$SMILES: CCCCCCCOC(=O)CCCCCC CH$IUPAC: InChI=1S/C14H28O2/c1-3-5-7-9-11-13-16-14(15)12-10-8-6-4-2/h3-13H2,1-2H3 CH$LINK: INCHIKEY QOIIBPAJVWFEPE-UHFFFAOYSA-N
AC$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: splash10-0a4l-9100000000-a7738627837f6b952746 PK$NUM_PEAK: 45 PK$PEAK: m/z int. rel.int. 27 21.96 220 29 37.73 377 31 1.14 11 39 12.69 127 41 68.67 687 42 23.45 235 43 99.99 999 44 2.3 23 45 2.39 24 53 3.29 33 54 4.13 41 55 46.38 464 56 59.71 597 57 74.28 743 58 2.55 26 59 1.35 14 60 14.07 141 61 28.79 288 67 2.49 25 68 11.27 113 69 33.94 339 70 54.4 544 71 4.37 44 73 13.15 132 74 1.17 12 81 1.18 12 83 11.01 110 84 3.88 39 85 13.42 134 87 12.03 120 89 4.41 44 95 1.57 16 97 2.66 27 98 61.53 615 99 3.7 37 101 3.08 31 111 1.03 10 113 50.83 508 114 3.03 30 115 1.02 10 116 1.55 16 130 6.41 64 131 78.65 787 132 4.5 45 143 1.45 15 //