MassBank Record: JP008667



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

ACCESSION: JP008667
RECORD_TITLE: ACETALDEHYDE BENZYL ISOAMYL 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$NAME: ACETALDEHYDE BENZYL ISOAMYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22O2 CH$EXACT_MASS: 222.16198 CH$SMILES: CC(C)CCOC(C)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C14H22O2/c1-12(2)9-10-15-13(3)16-11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3 CH$LINK: INCHIKEY UROVAOQFAZWTNI-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-7ccd91e6ad7a48d02362 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 15 1.58 16 27 7.77 78 29 6.24 62 31 2.51 25 39 7.36 74 41 13.33 133 42 4.48 45 43 44.07 441 44 3.58 36 45 3.2 32 50 2.25 23 51 4.94 49 52 1.18 12 53 1.33 13 55 8.43 84 57 1.86 19 63 1.84 18 65 7.35 74 69 1.29 13 70 7.04 70 71 29.19 292 72 1.53 15 77 7.98 80 78 2.15 22 79 8.05 81 89 2.13 21 90 2.41 24 91 99.99 999 92 18.99 190 93 1.04 10 105 4 40 106 2.34 23 107 5.63 56 108 6.85 69 115 2.38 24 133 1.99 20 134 18.4 184 135 5.02 50 //