MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008585
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008585
RECORD_TITLE: OCTADECANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: OCTADECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H38O
CH$EXACT_MASS: 270.29227
CH$SMILES: CCCCCCCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C18H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h19H,2-18H2,1H3
CH$LINK: INCHIKEY
GLDOVTGHNKAZLK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8026935
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$SPLASH: splash10-0a5c-9100000000-ef18c1dfe45ef2070173
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
27 7.91 79
29 24.41 244
31 15.42 154
39 5.8 58
41 70.66 707
42 15.82 158
43 99.99 999
44 2.26 23
45 1.75 18
53 2.7 27
54 8.22 82
55 96.57 966
56 50.07 501
57 92.15 922
58 3.66 37
67 12.31 123
68 36.29 363
69 85.53 855
70 48.75 488
71 40.18 402
72 2 20
73 1.74 17
81 7.28 73
82 41.53 415
83 98.85 989
84 30.82 308
85 19.5 195
95 3.74 37
96 12.62 126
97 74.41 744
98 19 190
99 4.73 47
109 1 10
110 5.94 59
111 36.09 361
112 12.49 125
113 2.91 29
124 3.38 34
125 15.82 158
126 7.75 78
127 1.08 11
138 2.42 24
139 6.46 65
140 5.33 53
153 3.51 35
154 3.76 38
167 2.04 20
168 2.76 28
182 1.99 20
196 1.57 16
224 4.66 47
252 2.83 28
//