MassBank Record: JP006468



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

ACCESSION: JP006468
RECORD_TITLE: HEPTYL FORMATE; 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$NAME: HEPTYL FORMATE CH$NAME: FORMIC ACID HEPTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H16O2 CH$EXACT_MASS: 144.11503 CH$SMILES: CCCCCCCOC=O CH$IUPAC: InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3 CH$LINK: INCHIKEY XEAMDSXSXYAICO-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$SPLASH: splash10-0596-9000000000-0a8140eee1ea9cb86948 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 15 1.26 13 26 1.75 18 27 32.26 323 28 10.46 105 29 44.95 450 30 1.58 16 31 33.96 340 39 22.37 224 40 4.15 42 41 84.74 847 42 45.73 457 43 44.55 446 44 3.1 31 45 2.99 30 47 3.12 31 51 1.26 13 53 4.24 42 54 8.34 83 55 63.97 640 56 99.99 999 57 24.29 243 58 1.13 11 59 1.03 10 67 2.93 29 68 15.07 151 69 54.65 547 70 95.08 951 71 5.08 51 73 1.71 17 83 8.98 90 84 1.24 12 87 2.37 24 98 10.01 100 99 1.03 10 //