MassBank Record: JP006852



 CIS-3-HEPTENOL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP006852
RECORD_TITLE: CIS-3-HEPTENOL; 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$NAME: CIS-3-HEPTENOL CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H14O CH$EXACT_MASS: 114.10447 CH$SMILES: CCCC=CCCO CH$IUPAC: InChI=1S/C7H14O/c1-2-3-4-5-6-7-8/h4-5,8H,2-3,6-7H2,1H3/b5-4- CH$LINK: INCHIKEY SDZQUCJFTUULJX-PLNGDYQASA-N
AC$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: splash10-0563-9000000000-b1039fa2c66d3083a830 PK$NUM_PEAK: 41 PK$PEAK: m/z int. rel.int. 15 1.52 15 26 2.07 21 27 29.67 297 28 3.1 31 29 26.57 266 31 34.2 342 38 2.07 21 39 34.06 341 40 3.69 37 41 79.52 795 42 22.12 221 43 17.9 179 44 7.75 78 45 1.82 18 50 1.95 20 51 3.99 40 52 2.07 21 53 14.55 146 54 31.98 320 55 99.99 999 56 17.01 170 57 15.11 151 58 1.6 16 65 2.47 25 66 1.94 19 67 31 310 68 21.63 216 69 11.04 110 70 4.04 40 71 2.75 28 77 1.37 14 79 3.07 31 81 75.08 751 82 5.06 51 83 5.07 51 84 1.86 19 86 2.79 28 95 2.68 27 96 20.78 208 97 1.64 16 114 2.75 28 //