MassBank Record: JP001771



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

ACCESSION: JP001771
RECORD_TITLE: HEXADECANOIC ACID BUTYL ESTER; 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$NAME: HEXADECANOIC ACID BUTYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C20H40O2 CH$EXACT_MASS: 312.30283 CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCC CH$IUPAC: InChI=1S/C20H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20(21)22-19-6-4-2/h3-19H2,1-2H3
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: splash10-0a4i-9210000000-09fcf01342b9b16080a3 PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 18 0.95 10 29 3.68 37 56 99.99 999 57 18.46 185 58 0.23 2 60 13.58 136 61 12.13 121 69 2.82 28 71 7.54 75 73 13.9 139 83 3.62 36 84 3.53 35 85 4.82 48 87 1.9 19 97 4.79 48 98 3 30 99 1.41 14 101 4.88 49 111 1.78 18 115 2.02 20 116 11.73 117 117 5.64 56 129 14.38 144 143 1.09 11 157 1.07 11 171 2.38 24 185 3.62 36 207 0.34 3 208 0.22 2 213 2.64 26 227 0.46 5 239 9.14 91 240 1.06 11 256 5.94 59 257 18.59 186 258 3.29 33 281 0.11 1 312 5.38 54 313 0.97 10 //