MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006853
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006853
RECORD_TITLE: HEPTANOL; 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$NAME: HEPTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H16O
CH$EXACT_MASS: 116.12012
CH$SMILES: CCCCCCCO
CH$IUPAC: InChI=1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3
CH$LINK: INCHIKEY
BBMCTIGTTCKYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8021937
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$SPLASH: splash10-0596-9000000000-9bf66315002a7c811643
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 1.4 14
26 1.94 19
27 33.32 333
28 7.3 73
29 34.61 346
30 1.05 11
31 40.83 408
39 19.99 200
40 1.21 12
41 79.91 799
42 48.85 489
43 70.52 705
44 3.94 39
45 3.39 34
51 1.13 11
53 3.85 39
54 4.09 41
55 72.5 725
56 93.66 937
57 23.64 236
67 2.05 21
68 14.05 141
69 49.82 498
70 99.99 999
71 4.52 45
73 1.96 20
83 5.19 52
98 3.23 32
//