MassBank Record: JP006977



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

ACCESSION: JP006977
RECORD_TITLE: HEPTYL ISOBUTYRATE; EI-B; MS
DATE: 2016.01.19 (2008.10.21, 2011.05.06)
AUTHORS: , SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: HEPTYL ISOBUTYRATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCCCCOC(=O)C(C)C CH$IUPAC: InChI=1S/C11H22O2/c1-4-5-6-7-8-9-13-11(12)10(2)3/h10H,4-9H2,1-3H3 CH$LINK: INCHIKEY RFDUMBPGZUIKOG-UHFFFAOYSA-N
AC$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: splash10-0596-9000000000-5dbbf52836e457833bc1 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 27 23.14 231 28 5.3 53 29 19.59 196 31 1.64 16 39 11.47 115 40 2.31 23 41 50.8 508 42 19.29 193 43 99.99 999 44 3.45 35 53 1.43 14 54 3.06 31 55 23.59 236 56 42.31 423 57 54.19 542 58 2.17 22 68 3.43 34 69 17.71 177 70 30.67 307 71 50.97 510 72 1.89 19 73 1.81 18 83 3.35 34 88 1.64 16 89 61.98 620 90 2.49 25 97 2.31 23 98 26.43 264 99 1.93 19 101 1.42 14 113 1.01 10 //