MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000317
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000317
RECORD_TITLE: N-HEXYLACETAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: N-HEXYLACETAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H17NO
CH$EXACT_MASS: 143.13101
CH$SMILES: CCCCCCNC(C)=O
CH$IUPAC: InChI=1S/C8H17NO/c1-3-4-5-6-7-9-8(2)10/h3-7H2,1-2H3,(H,9,10)
CH$LINK: INCHIKEY
SYIOXNGUUYGIIF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID00225993
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 80 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0089-9000000000-8a8a7248c850cc4ef294
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
14 1.6 16
15 9.2 92
27 6.5 65
28 0.45 5
29 6.3 63
30 99.99 999
31 3 30
39 0.4 4
41 9.2 92
42 4.8 48
43 43.9 439
44 1.52 15
45 12.3 123
55 4.4 44
56 3.8 38
58 0.45 5
60 17.9 179
72 29.7 297
73 23 230
86 0.94 9
87 3.8 38
100 8.8 88
101 2.5 25
114 0.49 5
128 2.2 22
143 8.1 81
144 1.7 17
//