MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005744
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005744
RECORD_TITLE: 5-(AMINOMETHYL)-3-ISOXAZOLONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 5-(AMINOMETHYL)-3-ISOXAZOLONE
CH$NAME: MUSCIMOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H6N2O2
CH$EXACT_MASS: 114.04293
CH$SMILES: NCC(O1)=CC(=O)N1
CH$IUPAC: InChI=1S/C4H6N2O2/c5-2-3-1-4(7)6-8-3/h1H,2,5H2,(H,6,7)
CH$LINK: INCHIKEY
ZJQHPWUVQPJPQT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5041069
AC$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: splash10-003r-9000000000-8a5c7c8119385828f867
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
14 2.5 25
15 2.7 27
16 1 10
17 1.7 17
18 3.1 31
26 2.9 29
27 7.5 75
28 49.1 491
29 18.1 181
30 99.99 999
31 2.7 27
38 4.6 46
39 11.8 118
40 5 50
41 10.1 101
42 15.2 152
43 16 160
44 5.6 56
45 1.2 12
47 1.6 16
48 0.8 8
49 8 80
51 4.1 41
53 2.7 27
54 7.2 72
55 6.5 65
56 6.7 67
57 2.8 28
58 2 20
59 1.7 17
66 1.2 12
67 3.5 35
68 4.8 48
69 8.7 87
70 20.5 205
71 29.5 295
82 4.4 44
83 22.2 222
85 1.7 17
86 5.3 53
88 0.7 7
97 12.8 128
98 4.9 49
113 8.9 89
114 10.3 103
115 9.5 95
//