MassBank Record: JP001788



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

ACCESSION: JP001788
RECORD_TITLE: TETRACOSANOIC 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$NAME: TETRACOSANOIC ACID HEXYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C30H60O2 CH$EXACT_MASS: 452.45933 CH$SMILES: C(CCCCCCCCCCCCCCCCCCC(=O)OCCCCCC)CCCC CH$IUPAC: InChI=1S/C30H60O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-30(31)32-29-27-8-6-4-2/h3-29H2,1-2H3
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: splash10-08gi-9101000000-54b022172b90a781ce9b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 28 6.16 62 44 25.62 256 56 41.48 415 57 30.25 303 61 88.27 883 69 15.94 159 71 27.53 275 73 28.58 286 82 8.85 89 83 25.33 253 84 99.99 999 85 27 270 97 12.45 125 98 8.83 88 112 39.82 398 129 13.6 136 141 1.23 12 145 8.71 87 157 6.17 62 208 1.01 10 281 1.74 17 340 15.7 157 341 29.15 292 342 3.85 39 368 11.59 116 369 22.44 224 370 2.05 21 452 25.39 254 453 6.09 61 //