MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006549
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006549
RECORD_TITLE: ISOPROPYL LAURATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOPROPYL LAURATE
CH$NAME: ISOPROPYL DODECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY
UJPPXNXOEVDSRW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3041904
AC$INSTRUMENT: HITACHI M-80B
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: splash10-0f6x-9100000000-552cf8702f9602b99af3
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
27 15.8 158
29 19.62 196
39 9.11 91
41 51.88 519
42 18.25 183
43 99.99 999
44 3.2 32
45 4.55 46
53 1.99 20
54 2.37 24
55 30.58 306
56 9.58 96
57 33.59 336
58 1.67 17
59 18.62 186
60 58.65 587
61 12.66 127
67 3.03 30
68 2.25 23
69 14.56 146
70 5.01 50
71 17.48 175
73 26.11 261
74 2.77 28
81 2.64 26
82 1.65 17
83 10.29 103
84 6.65 67
85 13.47 135
87 6.72 67
95 3.28 33
96 1.43 14
97 7.99 80
98 6.83 68
99 2.17 22
101 4.54 45
102 45.19 452
103 4.98 50
109 1.52 15
111 2.75 28
112 1.38 14
115 5.16 52
129 9.43 94
138 1.37 14
140 1.74 17
143 1.8 18
157 6.21 62
171 1.79 18
183 21.82 218
184 2.6 26
200 24.16 242
201 20.73 207
202 2.36 24
//