MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003326
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003326
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL PALMITATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H38O2
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
CH$LINK: INCHIKEY
XUGNVMKQXJXZCD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9027104
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$SPLASH: splash10-0pb9-9210000000-41597dc201ecf902b37f
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
43 99.99 999
44 6 60
45 4.4 44
53 6.4 64
54 60 600
55 15.6 156
56 72.3 723
57 0.33 3
58 19.4 194
59 71.7 717
60 26.1 261
67 0.87 9
68 5.5 55
69 31.9 319
70 8.9 89
71 4.1 41
73 40.9 409
74 6.5 65
81 6.6 66
82 0.43 4
83 18.5 185
84 9.7 97
85 22 220
87 1.05 11
95 6.7 67
96 3.9 39
97 13.6 136
98 1.91 19
99 6.3 63
101 6.1 61
102 79.2 792
103 1.19 12
109 3.2 32
111 8.4 84
112 5.1 51
113 0.35 4
115 7.8 78
125 4.2 42
129 15.9 159
157 0.51 5
171 3.9 39
185 4.5 45
213 7 70
239 2.14 21
240 3.9 39
255 3 30
256 59.6 596
257 4.02 40
258 4.6 46
298 9 90
299 5.5 55
//