MassBank Record: MSBNK-Keio_Univ-KO004119
ACCESSION: MSBNK-Keio_Univ-KO004119
RECORD_TITLE: Tropine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T024
CH$NAME: Tropine
CH$NAME: 3alpha-Tropanol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H15NO
CH$EXACT_MASS: 141.11536
CH$SMILES: O[C@@H](C1)C[C@@H](C2)N(C)[C@@H](C2)1
CH$IUPAC: InChI=1S/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3/t6-,7+,8-
CH$LINK: CAS
120-29-6
CH$LINK: CHEBI
15884
CH$LINK: KEGG
C00729
CH$LINK: NIKKAJI
J265.579I
CH$LINK: PUBCHEM
SID:3994
CH$LINK: INCHIKEY
CYHOMWAPJJPNMW-RNLVFQAGSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 142
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-5900000000-3d6aff848621c7a65e6e
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
32.300 39604.0 1
41.000 69307.0 1
43.000 341584.5 2
43.900 118812.0 1
44.700 19802.0 1
55.100 1500001.5 11
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79.100 341584.5 2
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83.100 2777230.5 20
85.300 920793.0 7
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90.300 24752.5 1
90.900 10202980.5 75
92.300 69307.0 1
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94.400 74257.5 1
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142.300 136609047.5 999
//