MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007596
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007596
RECORD_TITLE: TETRADECAN-2-OL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: TETRADECAN-2-OL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H30O
CH$EXACT_MASS: 214.22967
CH$SMILES: CCCCCCCCCCCCC(C)O
CH$IUPAC: InChI=1S/C14H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h14-15H,3-13H2,1-2H3
CH$LINK: CAS
4706-81-4
CH$LINK: INCHIKEY
BRGJIIMZXMWMCC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00871095
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0002-9000000000-d2fed48b4a0a9ad43ba0
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
31 2.31 23
43 30.47 305
45 99.99 999
55 21.85 219
57 20.36 204
69 13.09 131
71 8.73 87
83 10.03 100
84 5.32 53
97 8.11 81
98 3.36 34
111 4.24 42
112 2.27 23
125 1.97 20
126 1.36 14
168 1.59 16
196 1.39 14
199 1.06 11
//