MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009715
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009715
RECORD_TITLE: NICOTINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: NICOTINE
CH$NAME: 3-(1-METHYL-2-PYRROLIDINYL)PYRIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14N2
CH$EXACT_MASS: 162.11570
CH$SMILES: CN(C2)C([H])(CC2)c(c1)cncc1
CH$IUPAC: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
CH$LINK: INCHIKEY
SNICXCGAKADSCV-JTQLQIEISA-N
CH$LINK: COMPTOX
DTXSID1020930
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-01q9-7900000000-1e2c38b5e4e7aae10d37
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
41 1.61 16
42 18.81 188
43 1.68 17
44 4.24 42
55 6.05 61
56 1 10
57 1.11 11
65 3.17 32
77 0.96 10
78 2.52 25
79 1.46 15
80 1 10
81 2.04 20
82 5.84 58
83 2.25 23
84 99.99 999
85 16.78 168
91 1.89 19
92 9.16 92
93 2.42 24
104 1.6 16
105 3 30
106 2.63 26
107 1.84 18
117 3.55 36
118 7.41 74
119 14.61 146
120 4.59 46
130 5.02 50
131 1.37 14
132 2.41 24
133 63.06 631
134 8.7 87
147 1.02 10
161 33.39 334
162 48.85 489
163 6.76 68
//
system version 2.2.6-SNAPSHOT