MassBank Record: JP003221



 METHYL 2-BUTYLHEXANOATE; EI-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP003221
RECORD_TITLE: METHYL 2-BUTYLHEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NAKATA H, DEPT. OF CHEMISTRY, AICHI KYOIKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-BUTYLHEXANOATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H22O2 CH$EXACT_MASS: 186.16198 CH$SMILES: CCCCC(CCCC)C(=O)OC CH$IUPAC: InChI=1S/C11H22O2/c1-4-6-8-10(9-7-5-2)11(12)13-3/h10H,4-9H2,1-3H3
AC$INSTRUMENT: HITACHI RMU-7 AC$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$SPLASH: splash10-053f-9500000000-f01dac540c9be36ea6c3 PK$NUM_PEAK: 34 PK$PEAK: m/z int. rel.int. 37 18 180 39 9 90 41 43 430 43 43 430 45 7 70 53 7 70 55 56 560 56 6 60 57 28 280 59 20 200 69 23 230 70 5 50 71 21 210 74 8 80 83 6 60 85 11 110 87 99.99 999 88 18 180 96 5 50 97 11 110 98 9 90 100 6 60 101 52 520 102 5 50 129 12 120 130 88 880 131 21 210 132 9 90 133 5 50 143 30 300 155 17 170 156 5 50 157 12 120 186 5 50 //