MassBank Record: JP009107



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

ACCESSION: JP009107
RECORD_TITLE: ACETALDEHYDE CIS-3-HEXENYL PENTYL 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$NAME: ACETALDEHYDE CIS-3-HEXENYL PENTYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H26O2 CH$EXACT_MASS: 214.19328 CH$SMILES: CCC=CCCOC(C)OCCCCC CH$IUPAC: InChI=1S/C13H26O2/c1-4-6-8-10-12-15-13(3)14-11-9-7-5-2/h6,8,13H,4-5,7,9-12H2,1-3H3/b8-6- CH$LINK: INCHIKEY DTNQXBQAPPDECZ-VURMDHGXSA-N
AC$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: splash10-00r6-9100000000-b496967bc1b431da984f PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 14.71 147 29 20.21 202 31 5.09 51 39 13.17 132 40 1 10 41 44.75 448 42 12.23 122 43 75.34 753 44 2.89 29 45 42.5 425 53 5.56 56 54 3.14 31 55 53.35 534 56 5.49 55 57 1.63 16 58 2.18 22 61 2.96 30 67 12.94 129 68 1.76 18 69 4.8 48 70 3.6 36 71 99.99 999 72 5.58 56 81 1.26 13 82 11.01 110 83 58.14 581 84 3.36 34 97 2.95 30 115 70.76 708 116 5.52 55 127 8.58 86 //