MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003955
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003955
RECORD_TITLE: ETHYL PALMITATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H36O2
CH$EXACT_MASS: 284.27153
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY
XIRNKXNNONJFQO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2047511
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-9200000000-620335ecb09ad3c053f6
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
45 9.5 95
55 22 220
56 9.3 93
57 3.88 39
60 15.1 151
61 20.7 207
67 7.4 74
69 2.55 26
70 28.5 285
71 14.7 147
73 24.1 241
81 0.77 8
83 16.8 168
84 9.5 95
85 7.2 72
88 99.99 999
89 17.3 173
95 6.2 62
97 13.3 133
98 0.72 7
101 53.3 533
102 6.9 69
115 10 100
143 0.75 8
157 16.4 164
199 5.8 58
239 7.8 78
241 0.91 9
284 6.8 68
//