MassBank Record: JP006853



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

ACCESSION: JP006853
RECORD_TITLE: HEPTANOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: TAJIMA SGUNMA COLLEGE OF TECHNOLOGY, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: HEPTANOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H16O CH$EXACT_MASS: 116.12012 CH$SMILES: CCCCCCCO CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3 CH$LINK: INCHIKEY BBMCTIGTTCKYKF-UHFFFAOYSA-N
AC$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: splash10-0596-9000000000-9bf66315002a7c811643 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 15 1.4 14 26 1.94 19 27 33.32 333 28 7.3 73 29 34.61 346 30 1.05 11 31 40.83 408 39 19.99 200 40 1.21 12 41 79.91 799 42 48.85 489 43 70.52 705 44 3.94 39 45 3.39 34 51 1.13 11 53 3.85 39 54 4.09 41 55 72.5 725 56 93.66 937 57 23.64 236 67 2.05 21 68 14.05 141 69 49.82 498 70 99.99 999 71 4.52 45 73 1.96 20 83 5.19 52 98 3.23 32 //