MassBank Record: JP009109



 ACETALDEHYDE DI-TRANS-2-HEXENYL ACETAL; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP009109
RECORD_TITLE: ACETALDEHYDE DI-TRANS-2-HEXENYL 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$NAME: ACETALDEHYDE DI-TRANS-2-HEXENYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H26O2 CH$EXACT_MASS: 226.19328 CH$SMILES: CCCC=CCOC(C)OCC=CCCC CH$IUPAC: InChI=1S/C14H26O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h8-11,14H,4-7,12-13H2,1-3H3/b10-8+,11-9+ CH$LINK: INCHIKEY FVXJKQGRPGCDDF-GFULKKFKSA-N
AC$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: splash10-053r-9000000000-a5c0b0886655310e79a7 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 27 9.98 100 29 11.09 111 39 11.06 111 41 40.23 402 42 6.23 62 43 10.57 106 44 1.09 11 45 4.41 44 53 4.88 49 54 11.68 117 55 69.23 692 56 9.4 94 57 15.24 152 58 1.01 10 67 10.63 106 68 1.09 11 69 3.61 36 71 1.96 20 81 6.02 60 82 11.89 119 83 99.99 999 84 9.92 99 85 1.36 14 97 1.45 15 99 6.87 69 100 1.52 15 109 1.09 11 113 1.26 13 126 1.79 18 127 7.36 74 138 1.75 18 139 1.78 18 //