MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008132
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008132
RECORD_TITLE: (Z)-11-HEXADECENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAOKA R, KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-11-HEXADECENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H30O
CH$EXACT_MASS: 238.22967
CH$SMILES: O=CCCCCCCCCCC([H])=C([H])CCCC
CH$IUPAC: InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-6,16H,2-4,7-15H2,1H3/b6-5-
CH$LINK: INCHIKEY
AMTITFMUKRZZEE-WAYWQWQTSA-N
CH$LINK: COMPTOX
DTXSID1032303
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$SPLASH: splash10-0aou-9100000000-ed634e4fae366099e696
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
41 71.06 711
42 10.52 105
43 28.56 286
44 8.59 86
51 1.09 11
53 9.8 98
54 22.16 222
55 99.99 999
56 23.15 232
57 17.82 178
58 2.94 29
65 2.5 25
66 2.06 21
67 33.66 337
68 20 200
69 39.56 396
70 17.27 173
71 7.91 79
72 1.38 14
77 1.2 12
79 8.05 81
80 7.35 74
81 30.39 304
82 24.12 241
83 22.72 227
84 14.12 141
85 4.7 47
86 1.03 10
93 7.46 75
94 6.16 62
95 23.42 234
96 19.99 200
97 17.3 173
98 23.19 232
99 2.55 26
107 4.67 47
108 4.62 46
109 8.94 89
110 6 60
111 10.86 109
112 8.05 81
113 1.38 14
121 7.81 78
122 3.07 31
123 3.91 39
124 4.79 48
125 3.94 39
126 1.17 12
135 4.69 47
136 2.91 29
137 1.52 15
138 2.92 29
149 1.55 16
150 1.35 14
220 6.7 67
221 1.04 10
238 2.86 29
//
system version 2.2.6-SNAPSHOT