MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010591
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010591
RECORD_TITLE: 5-AMINO-3-PENTYLISOXAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA
CH$NAME: 5-AMINO-3-PENTYLISOXAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14N2O
CH$EXACT_MASS: 154.11061
CH$SMILES: CCCCCc(n1)cc(N)o1
CH$IUPAC: InChI=1S/C8H14N2O/c1-2-3-4-5-7-6-8(9)11-10-7/h6H,2-5,9H2,1H3
CH$LINK: INCHIKEY
SWUFZCKNJXQAAH-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-80
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: splash10-002f-9100000000-53cbaf208d79ea7c004a
PK$NUM_PEAK: 63
PK$PEAK: m/z int. rel.int.
15 5.19 52
16 1.5 15
17 3.11 31
18 12.03 120
26 10.62 106
27 69.58 696
28 45.72 457
29 65.31 653
30 12.49 125
38 5.01 50
39 51.03 510
40 14.04 140
41 93.42 934
42 66.61 666
43 65.82 658
44 38 380
50 2.13 21
51 5.4 54
52 11.23 112
53 25 250
54 53.69 537
55 50.53 505
56 27.47 275
57 10.61 106
58 3.92 39
59 4.1 41
65 3.01 30
66 7.22 72
67 17.3 173
68 25.53 255
69 6.59 66
70 8 80
71 7.03 70
79 2.71 27
80 14.48 145
81 12.91 129
82 16.49 165
83 22.4 224
84 12.43 124
85 5.81 58
86 2.2 22
93 1.62 16
94 9.1 91
95 5.31 53
96 7.19 72
97 33.4 334
98 99.99 999
99 6.43 64
100 2.92 29
108 52.21 522
109 20.63 206
110 15.71 157
111 27.6 276
112 8.49 85
122 10.63 106
125 23.5 235
126 3.71 37
136 2.52 25
137 3.49 35
138 2.9 29
139 3.01 30
154 7.31 73
155 2.99 30
//