MassBank Record: JP009112

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

ACCESSION: JP009112
RECORD_TITLE: ACETALDEHYDE BENZYL 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$NAME: ACETALDEHYDE BENZYL PENTYL ACETAL CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22O2 CH$EXACT_MASS: 222.16198 CH$SMILES: CCCCCOC(C)OCc(c1)cccc1 CH$IUPAC: InChI=1S/C14H22O2/c1-3-4-8-11-15-13(2)16-12-14-9-6-5-7-10-14/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3 CH$LINK: INCHIKEY YQAXOOYRJPMFQS-UHFFFAOYSA-N
AC$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: splash10-0006-9100000000-6fd392c4587c1285d87b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 27 4.88 49 29 5.86 59 31 1.11 11 39 4.78 48 41 7.94 79 42 2.4 24 43 21.35 214 44 1.08 11 45 9.81 98 51 1.96 20 55 2.96 30 63 1.13 11 65 8.68 87 71 21.83 218 72 1.04 10 77 3.4 34 78 1.05 11 79 2.13 21 89 1.66 17 90 2.57 26 91 99.99 999 92 19.96 200 105 1.86 19 107 1.49 15 108 1.44 14 115 3.53 35 133 2.82 28 134 19.57 196 135 6.38 64 //