MassBank Record: JP005327



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

ACCESSION: JP005327
RECORD_TITLE: HEPTYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: YAMAMOTO MDEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV., DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL ALCOHOL CH$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 RMU-6M 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: splash10-0596-9000000000-7ad1437199575e596cd7 PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 15 1.88 19 26 1.57 16 27 24.29 243 28 7.05 71 29 30.2 302 31 28.68 287 39 15.04 150 40 2.98 30 41 65.6 656 42 47.81 478 43 69.27 693 44 2.51 25 45 3.6 36 53 3.29 33 54 5.64 56 55 63.65 637 56 93.26 933 57 22.73 227 67 1.73 17 68 14.73 147 69 51.5 515 70 99.99 999 71 6.26 63 73 2.04 20 83 7.99 80 85 1.09 11 97 1.09 11 98 11.59 116 //