MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003389
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003389
RECORD_TITLE: DIN-DECYL ADIPATE; 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$NAME: DIN-DECYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C26H50O4
CH$EXACT_MASS: 426.37091
CH$SMILES: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC
CH$IUPAC: InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-19-23-29-25(27)21-17-18-22-26(28)30-24-20-16-14-12-10-8-6-4-2/h3-24H2,1-2H3
CH$LINK: INCHIKEY
HCQHIEGYGGJLJU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0059328
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$SPLASH: splash10-05r0-9750000000-339219d7b157ac340219
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
45 2.1 21
54 31.5 315
55 19.3 193
56 31.3 313
58 2.2 22
60 2.1 21
67 2.8 28
68 0.53 5
69 17 170
70 16.1 161
71 14.4 144
73 0.26 3
82 5.3 53
83 14 140
84 8.8 88
85 1.1 11
87 12.6 126
96 2.2 22
97 7.4 74
98 0.43 4
99 2.5 25
100 6.4 64
101 13.3 133
102 0.22 2
111 15.6 156
112 4.7 47
128 2.3 23
129 99.99 999
130 5.8 58
140 6.3 63
141 3.2 32
147 0.32 3
185 3.3 33
226 3.5 35
227 9.1 91
240 0.6 6
268 2.6 26
269 80.5 805
270 14.5 145
287 2.84 28
288 5.1 51
426 3.6 36
427 3.3 33
//
system version 2.2.6-SNAPSHOT