MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003798
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003798
RECORD_TITLE: N-(3-CHLOROPROPYL)MORPHOLINE; CI-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$LINK: INCHIKEY
PIAZYBLGBSMNLX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70223769
AC$INSTRUMENT: HITACHI M-60
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0j4i-0900000000-9f85252ed2a88f60653f
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
61 3.62 36
68 0.63 6
70 5.05 51
71 0.51 5
72 0.66 7
77 0.32 3
82 0.33 3
84 0.87 9
86 0.42 4
96 0.21 2
98 5.24 52
99 0.89 9
100 80.82 808
101 7.29 73
102 0.53 5
104 0.21 2
106 0.1 1
112 0.19 2
114 0.15 2
118 0.66 7
120 0.34 3
126 0.22 2
127 0.47 5
128 49.56 496
129 5.27 53
130 0.45 5
132 0.5 5
134 0.26 3
146 0.42 4
148 0.31 3
162 25.95 260
163 31.25 313
164 99.99 999
165 33.87 339
166 62.33 623
167 7.07 71
168 0.51 5
//
system version 2.2.6-SNAPSHOT