MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010826
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010826
RECORD_TITLE: NICOTINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
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: JEOL JMS-AX-505-H
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: splash10-001i-9800000000-fe889308f7088d47c31d
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
51 2.82 28
52 1.11 11
54 2.13 21
55 1.96 20
63 2.22 22
64 1.19 12
65 5.31 53
66 1.18 12
67 2.97 30
69 1.29 13
73 1.86 19
77 1.74 17
78 3.55 36
79 1.02 10
81 1.34 13
82 3.24 32
83 1.14 11
84 99.99 999
85 6 60
92 3.78 38
93 1.13 11
104 3.06 31
105 1.27 13
117 3.85 39
118 4.51 45
119 6.32 63
120 2.76 28
130 4.8 48
132 1.84 18
133 26.27 263
134 4.04 40
144 1.01 10
145 1.49 15
146 1.64 16
147 1.49 15
159 2.16 22
160 1.23 12
161 26.04 260
162 33.56 336
163 4.21 42
171 1.14 11
207 3.49 35
281 1.18 12
355 1.01 10
401 1.3 13
//