MassBank Record: JP009276



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

ACCESSION: JP009276
RECORD_TITLE: BENZALDEHYDE ETHYL ISOPENTYL 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$NAME: BENZALDEHYDE ETHYL ISOPENTYL ACETAL CH$NAME: BENZALDEHYDE ETHYL ISOAMYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22O2 CH$EXACT_MASS: 222.16198 CH$SMILES: CCOC(OCCC(C)C)c(c1)cccc1 CH$IUPAC: InChI=1S/C14H22O2/c1-4-15-14(16-11-10-12(2)3)13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3 CH$LINK: INCHIKEY ZSTHUNZWLDCRMU-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$SPLASH: splash10-052r-4900000000-378128eba21624d206d6 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 17 1 10 27 5.1 51 28 1.4 14 29 1.15 12 31 1 10 39 3.4 34 41 11 110 42 0.11 1 43 25.9 259 47 1 10 50 1.2 12 51 0.48 5 52 1.2 12 55 2.9 29 70 1.3 13 71 2.11 21 72 1.3 13 75 1.3 13 76 1 10 77 2.04 20 78 3.5 35 79 30.3 303 80 1.6 16 89 0.13 1 90 1.5 15 91 2.9 29 105 14.3 143 106 0.21 2 107 60.7 607 108 4.8 48 135 99.99 999 136 1.09 11 177 17.9 179 178 2 20 //