MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004177
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004177
RECORD_TITLE: N-CHLOROMETHYL-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$NAME: N-CHLOROMETHYL-2-PYRROLIDONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H8ClNO
CH$EXACT_MASS: 133.02944
CH$SMILES: O=C(C1)N(CC1)CCl
CH$IUPAC: InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
CH$LINK: INCHIKEY
KEBMRNXDMRFGNV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8067608
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$SPLASH: splash10-0002-9000000000-d5d64f4429172808d3e8
PK$NUM_PEAK: 74
PK$PEAK: m/z int. rel.int.
25 0.2 2
26 2.3 23
27 7.4 74
28 2 20
29 7 70
30 9.6 96
31 3.1 31
32 0.03 0
34 0.1 1
35 0.6 6
36 2.5 25
37 0.08 1
38 1.8 18
39 9.6 96
40 4.3 43
41 3.2 32
42 26.4 264
43 10 100
44 1.9 19
45 0.01 0
46 0.1 1
47 0.1 1
48 0.2 2
49 0.25 3
50 0.2 2
51 1.1 11
52 0.6 6
53 0.15 2
54 1.9 19
55 4.2 42
56 3.9 39
57 0.08 1
58 0.2 2
59 0.1 1
60 0.2 2
61 0.01 0
64 0.2 2
65 0.1 1
66 0.2 2
67 0.04 0
68 5.6 56
69 22 220
70 31.2 312
71 0.33 3
72 0.2 2
75 0.3 3
76 0.5 5
77 0.04 0
78 2.1 21
79 0.1 1
80 0.8 8
82 0.01 0
83 0.4 4
84 4.5 45
85 9 90
86 0.47 5
87 0.5 5
96 0.8 8
97 16.6 166
98 99.99 999
99 15 150
100 1.1 11
101 0.1 1
111 0.05 1
112 0.6 6
113 0.3 3
114 0.7 7
115 0.04 0
116 0.1 1
132 0.4 4
133 7.4 74
134 0.07 1
135 2.3 23
136 0.3 3
//