MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003961
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003961
RECORD_TITLE: N-(3-CHLOROPROPYL)MORPHOLINE; 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$NAME: N-(3-CHLOROPROPYL)MORPHOLINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H14ClNO
CH$EXACT_MASS: 163.07639
CH$SMILES: ClCCCN(C1)CCOC1
CH$IUPAC: InChI=1S/C7H14ClNO/c8-2-1-3-9-4-6-10-7-5-9/h1-7H2
CH$LINK: COMPTOX
DTXSID70223769
CH$LINK: INCHIKEY
PIAZYBLGBSMNLX-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:95834
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0f6x-9500000000-9bc080072bd1b1e96516
PK$NUM_PEAK: 65
PK$PEAK: m/z int. rel.int.
39 0.35 4
41 11.98 120
42 69.41 694
43 63.73 637
44 5.26 53
45 1.2 12
48 0.64 6
49 0.14 1
50 0.2 2
54 1.36 14
55 2.5 25
56 34.49 345
57 3.27 33
58 2.77 28
59 0.68 7
61 3.74 37
63 0.11 1
67 0.14 1
68 1.45 15
69 1.28 13
70 36.83 368
71 5.72 57
72 3.67 37
73 0.34 3
75 0.48 5
76 0.2 2
77 1.46 15
78 0.12 1
79 0.35 4
82 1.16 12
83 0.32 3
84 4.64 46
85 0.98 10
86 7.63 76
96 0.6 6
97 0.32 3
98 33.82 338
99 3.19 32
100 99.99 999
101 21.26 213
102 1.39 14
103 0.13 1
104 1.89 19
105 0.64 6
106 1.04 10
107 0.17 2
108 0.19 2
111 0.11 1
112 0.27 3
113 0.14 1
114 0.45 5
118 4.75 48
119 0.24 2
120 1.78 18
126 0.82 8
127 0.12 1
128 1.37 14
132 1.98 20
133 0.13 1
134 0.82 8
162 4.53 45
163 20.03 200
164 5.99 60
165 7.25 73
166 1.34 13
//
system version 2.2.6-SNAPSHOT