MassBank Record: JP006507



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

ACCESSION: JP006507
RECORD_TITLE: HEPTYL 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$NAME: HEPTYL BUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCCCCOC(=O)CCC CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-10-13-11(12)9-4-2/h3-10H2,1-2H3 CH$LINK: INCHIKEY JPQHLIYIQARLQM-UHFFFAOYSA-N
AC$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-ba06b6ffba8744b54335 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 1.22 12 26 1.35 14 27 31.17 312 28 4.74 47 29 31.32 313 31 1.89 19 39 15.33 153 40 2.79 28 41 59.96 600 42 27.7 277 43 99.99 999 44 3.66 37 45 1.92 19 53 2.37 24 54 4.31 43 55 34.95 350 56 57.34 573 57 45.33 453 58 2.33 23 60 6.65 67 61 4.78 48 67 1.69 17 68 5.99 60 69 25.69 257 70 45.74 457 71 94.43 944 72 4 40 73 4.46 45 83 4.61 46 86 1.29 13 88 5.31 53 89 72.78 728 90 3.54 35 97 2.86 29 98 31.66 317 99 2.34 23 101 2.6 26 113 1.17 12 //