MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008910
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008910
RECORD_TITLE: 6-UNDECANONE; 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$NAME: 6-UNDECANONE
CH$NAME: DIPENTYL KETONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O
CH$EXACT_MASS: 170.16707
CH$SMILES: CCCCCC(=O)CCCCC
CH$IUPAC: InChI=1S/C11H22O/c1-3-5-7-9-11(12)10-8-6-4-2/h3-10H2,1-2H3
CH$LINK: COMPTOX
DTXSID5061295
CH$LINK: INCHIKEY
ZPQAKYPOZRXKFA-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:13561
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-05bg-9000000000-22e85b5da08a296e5364
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
15 1.3 13
26 1.1 11
27 21.5 215
28 0.55 6
29 31 310
39 11.5 115
40 2.1 21
41 3.09 31
42 7.1 71
43 99.99 999
44 3.2 32
53 0.31 3
54 1.2 12
55 14.5 145
56 2.6 26
57 0.36 4
58 50.7 507
59 16.2 162
67 1.8 18
69 0.19 2
70 1.8 18
71 49.8 498
72 10.5 105
81 0.19 2
83 1.2 12
85 6.5 65
86 1.6 16
96 0.19 2
98 1.3 13
99 58.5 585
100 4.4 44
114 1.21 12
115 3.2 32
127 6.9 69
128 1.3 13
141 0.12 1
170 8.4 84
171 1.6 16
//
system version 2.2.6-SNAPSHOT