MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005848
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005848
RECORD_TITLE: PENTADECANE; 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$NAME: PENTADECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H32
CH$EXACT_MASS: 212.25040
CH$SMILES: CCCCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3
CH$LINK: INCHIKEY
YCOZIPAWZNQLMR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6027268
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$SPLASH: splash10-0a4l-9000000000-32f5cf10a7d32e3cb81f
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
27 7.73 77
28 3.74 37
29 20.7 207
39 4.24 42
40 1 10
41 32.17 322
42 9.73 97
43 80.3 803
44 2.49 25
53 1.5 15
54 1.75 18
55 16.71 167
56 14.46 145
57 99.99 999
58 4.49 45
67 1.25 13
68 1.5 15
69 7.48 75
70 10.22 102
71 58.35 584
72 3.49 35
82 1.25 13
83 4.24 42
84 7.23 72
85 37.66 377
86 2.49 25
97 2.74 27
98 5.74 57
99 10.47 105
111 1 10
112 4.24 42
113 7.23 72
126 3.24 32
127 5.99 60
140 2.24 22
141 5.49 55
154 1.5 15
155 4.74 47
168 1 10
169 2.99 30
183 1.5 15
212 13.47 135
213 2.49 25
//
system version 2.2.8-SNAPSHOT