MassBank Record: JP002879



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

ACCESSION: JP002879
RECORD_TITLE: ETHYL PELARGONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ETHYL PELARGONATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCCCCCC(=O)OCC CH$IUPAC: InChI=1S/C11H22O2/c1-3-5-6-7-8-9-10-11(12)13-4-2/h3-10H2,1-2H3
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: EI-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000l-9100000000-486ab8e24881488c2e5e PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 27 11.87 119 28 3.99 40 29 32.33 323 39 5.4 54 41 24.74 247 42 9 90 43 30.4 304 45 11.12 111 55 21.65 217 56 7.53 75 57 21.72 217 60 25.47 255 61 21.11 211 67 2.11 21 69 9.22 92 70 23.59 236 71 14.12 141 73 23.43 234 74 3.36 34 81 2.79 28 83 5.05 51 84 4.52 45 87 3.24 32 88 99.99 999 89 8.16 82 97 3.93 39 101 37.77 378 102 3.48 35 115 6.82 68 129 2.88 29 141 20.26 203 143 7.87 79 157 6.43 64 186 2.78 28 //