MassBank Record: JP008637



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

ACCESSION: JP008637
RECORD_TITLE: CIS-3-HEXENAL DIETHYL ACETAL; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: CIS-3-HEXENAL DIETHYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C10H20O2 CH$EXACT_MASS: 172.14633 CH$SMILES: CCC=CCC(OCC)OCC CH$IUPAC: InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7- CH$LINK: INCHIKEY IOBHVJHSBREPFR-FPLPWBNLSA-N
AC$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: splash10-0fba-9200000000-c08490ba12f429228ca6 PK$NUM_PEAK: 35 PK$PEAK: m/z int. rel.int. 15 1.31 13 19 1.88 19 26 1.14 11 27 20.4 204 28 3.41 34 29 39.98 400 31 4.42 44 39 11.1 111 40 29.55 296 41 29.55 296 42 3.53 35 43 10.03 100 44 2.79 28 45 4.97 50 47 99.99 999 53 4.67 47 54 1.66 17 55 20 200 56 1.2 12 57 9.67 97 59 1.93 19 67 2.31 23 69 6.9 69 70 1.08 11 72 1.13 11 75 55.98 560 76 1.49 15 81 16.98 170 82 1.12 11 83 4.64 46 85 4.52 45 103 85.86 859 104 4.64 46 127 17.07 171 128 1.3 13 //