MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007020
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007020
RECORD_TITLE: TRIDECANOL; 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$NAME: TRIDECANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H28O
CH$EXACT_MASS: 200.21402
CH$SMILES: CCCCCCCCCCCCCO
CH$IUPAC: InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
CH$LINK: INCHIKEY
XFRVVPUIAFSTFO-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021947
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$SPLASH: splash10-0a4l-9000000000-31719e7c569e2c37eeac
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
17 1.39 14
27 20.01 200
29 36.47 365
31 32.41 324
39 13.88 139
40 1.36 14
41 84.8 848
42 25.74 257
43 99.99 999
44 5.78 58
45 1.75 18
53 5.7 57
54 10.6 106
55 96.79 968
56 61.27 613
57 64.2 642
58 2.47 25
67 11.53 115
68 27.96 280
69 75.12 751
70 54.53 545
71 19.58 196
81 3.66 37
82 26.06 261
83 63.32 633
84 31.47 315
85 9.98 100
95 1.25 13
96 6.25 63
97 37.3 373
98 16.61 166
110 2.95 30
111 16.87 169
112 9.99 100
125 6.73 67
126 5.3 53
139 1.07 11
154 6.94 69
//