MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006553
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006553
RECORD_TITLE: HEXANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: HEXANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCCCCCO
CH$IUPAC: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
CH$LINK: INCHIKEY
ZSIAUFGUXNUGDI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021931
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$SPLASH: splash10-0a4l-9000000000-df7ed15b6c10248ee93a
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
15 1.54 15
26 1.95 20
27 24.6 246
28 4.69 47
29 24.49 245
31 33.86 339
38 1.03 10
39 16.28 163
40 3.47 35
41 46.02 460
42 42.92 429
43 60.61 606
44 4.67 47
45 3.31 33
51 1.04 10
53 2.12 21
54 2.94 29
55 52.62 526
56 99.99 999
57 9 90
67 1.05 11
69 26.5 265
70 2.41 24
71 1.54 15
73 1.27 13
83 1.24 12
84 7.42 74
//