MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006855
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006855
RECORD_TITLE: OCTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: OCTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O
CH$EXACT_MASS: 130.13577
CH$SMILES: CCCCCCCCO
CH$IUPAC: InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
CH$LINK: INCHIKEY
KBPLFHHGFOOTCA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021940
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$SPLASH: splash10-052f-9000000000-d1965ae83320e5d704c6
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
15 1.39 14
18 1.2 12
26 1.68 17
27 34.94 349
28 4.16 42
29 44.22 442
30 1.37 14
31 44.49 445
39 23.92 239
40 3.74 37
41 93.01 930
42 58.64 586
43 72.35 724
44 3.63 36
45 3.73 37
51 1.08 11
53 4.78 48
54 4.43 44
55 85.52 855
56 99.99 999
57 36.89 369
58 1.7 17
67 3.99 40
68 17.2 172
69 56.94 569
70 65.34 653
71 6.37 64
73 2.33 23
82 6.47 65
83 37.07 371
84 53.74 537
85 2.75 28
97 2.26 23
112 3.2 32
//