MassBank Record: JP001780



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

ACCESSION: JP001780
RECORD_TITLE: HEXADECANOIC ACID HEXYL 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$NAME: HEXADECANOIC ACID HEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C22H44O2 CH$EXACT_MASS: 340.33413 CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCCCCCC CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-22(23)24-21-19-8-6-4-2/h3-21H2,1-2H3
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: splash10-01q9-9020000000-df166aec8f02264c7088 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 28 1.82 18 56 11.62 116 60 9.18 92 61 66.93 669 69 1.28 13 71 5.89 59 73 19.27 193 84 99.99 999 85 22.24 222 98 5.98 60 129 11.1 111 141 1.79 18 145 2.31 23 157 4.07 41 207 1.8 18 213 3.17 32 239 7.22 72 256 8.31 83 257 33.05 331 258 4.04 40 340 4.08 41 //