MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004171
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004171
RECORD_TITLE: N-HYDROXYMETHYL-2-PYRROLIDONE; 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$NAME: N-HYDROXYMETHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H9NO2
CH$EXACT_MASS: 115.06333
CH$SMILES: OCN(C1)C(=O)CC1
CH$IUPAC: InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2
CH$LINK: INCHIKEY
PJEXUIKBGBSHBS-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7065887
AC$INSTRUMENT: HITACHI RMU-6E
AC$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$SPLASH: splash10-0036-9100000000-8b966d953f24ee51929e
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
24 0.3 3
25 1.2 12
26 12 120
27 3.4 34
28 99.99 999
29 50 500
30 74.8 748
31 3 30
32 0.6 6
37 1.9 19
38 4 40
39 2.12 21
40 14 140
41 85.2 852
42 78.8 788
43 1.32 13
44 9.6 96
45 0.9 9
46 3.8 38
49 0.01 0
50 0.4 4
51 1 10
52 2.7 27
53 0.18 2
54 5.1 51
55 9.2 92
56 25.2 252
57 1.44 14
58 5.1 51
59 5.6 56
60 8 80
61 0.02 0
65 0.2 2
66 0.7 7
67 0.7 7
68 0.51 5
69 16 160
70 13.6 136
71 4.7 47
72 0.2 2
73 0.1 1
78 0.8 8
79 0.2 2
80 0.03 0
81 0.2 2
82 0.6 6
83 28.4 284
84 5.12 51
85 31.6 316
86 44 440
87 1.7 17
88 0.03 0
94 0.1 1
95 0.1 1
96 0.2 2
97 0.37 4
98 28.8 288
99 3.8 38
100 0.6 6
112 0.02 0
113 0.2 2
114 10 100
115 77.2 772
116 0.68 7
117 0.5 5
118 0.1 1
//