MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009853
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009853
RECORD_TITLE: 6,10-DIMETHYL-2-UNDECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6,10-DIMETHYL-2-UNDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O
CH$EXACT_MASS: 200.21402
CH$SMILES: CC(C)CCCC(C)CCCC(C)O
CH$IUPAC: InChI=1S/C13H28O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h11-14H,5-10H2,1-4H3
CH$LINK: INCHIKEY
GNJORAZPXCKMSY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90959533
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0592-9000000000-65e4a885e6f6bf9f1769
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
27 7 70
29 12.8 128
39 4.7 47
41 2.72 27
42 10.4 104
43 47.4 474
44 6.1 61
45 99.99 999
46 2.3 23
55 53.3 533
56 45.1 451
57 6.19 62
58 5 50
59 2.6 26
67 2.5 25
68 0.33 3
69 43.2 432
70 38.9 389
71 38.9 389
72 0.2 2
81 3.3 33
83 18.7 187
84 13.4 134
85 0.95 10
87 2.2 22
95 1.4 14
96 6.2 62
97 3.58 36
98 8.2 82
99 1.6 16
111 14.3 143
112 1.85 19
113 6.7 67
125 2.8 28
126 14 140
127 0.3 3
140 2.5 25
182 1.9 19
185 1 10
//