MassBank Record: JP001862



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

ACCESSION: JP001862
RECORD_TITLE: OCTADECYL HEXADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SEYAMA Y, DEPT. OF PHYSIOL. CHEMISTRY AND NUTRITION, FAC. OF MEDICINE, UNIV. OF TOKYO
LICENSE: CC BY-NC-SA

CH$NAME: OCTADECYL HEXADECANOATE CH$NAME: STEARYL PALMITATE CH$COMPOUND_CLASS: N/A CH$FORMULA: C34H68O2 CH$EXACT_MASS: 508.52193 CH$SMILES: C(CCCCCCCC(OCCCCCCCCCCCCCCCCCC)=O)CCCCCCC CH$IUPAC: InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3
AC$INSTRUMENT: SHIMADZU QP-1000 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: splash10-0a4l-9000000000-97dfbe411b8f4a98a387 PK$NUM_PEAK: 62 PK$PEAK: m/z int. rel.int. 41 40.4 404 42 12.5 125 43 99.99 999 44 4.7 47 53 1.5 15 54 6.1 61 55 48.4 484 56 19.1 191 57 82.4 824 58 4.1 41 60 8.8 88 61 13.5 135 67 7.2 72 68 8.9 89 69 34.3 343 70 14.3 143 71 35.1 351 72 2 20 73 11.8 118 74 1.4 14 81 5.5 55 82 12.3 123 83 28.2 282 84 10.1 101 85 18.2 182 86 1.4 14 87 2.8 28 95 3.6 36 96 6.4 64 97 24.2 242 98 7.7 77 99 3.6 36 101 2.1 21 109 1.6 16 110 2.4 24 111 10.7 107 112 3.3 33 113 1.9 19 115 2.1 21 116 1.7 17 124 1.4 14 125 5.5 55 126 1.7 17 127 1 10 129 3.7 37 139 2.3 23 140 1.2 12 153 1.3 13 157 1.1 11 171 1 10 185 1 10 213 1.6 16 224 1.5 15 239 3.2 32 252 5.9 59 253 1.5 15 256 6.3 63 257 35.4 354 258 6.5 65 297 2.1 21 508 3.5 35 509 1.3 13 //