MassBank Record: MSBNK-Keio_Univ-KO003458
ACCESSION: MSBNK-Keio_Univ-KO003458
RECORD_TITLE: N-Methyl-N-propagylbenzylamine; LC-ESI-QQ; MS2; CE:20 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 M071
CH$NAME: N-Methyl-N-propagylbenzylamine
CH$NAME: Pargyline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H13N
CH$EXACT_MASS: 159.10480
CH$SMILES: C#CCN(C)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
CH$LINK: CAS
555-57-7
CH$LINK: KEGG
C07414
CH$LINK: NIKKAJI
J6.471H
CH$LINK: PUBCHEM
SID:9618
CH$LINK: INCHIKEY
DPWPWRLQFGFJFI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3023423
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-3b1f68acf7d86b277194
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
41.900 54455.5 1
43.100 59406.0 1
43.800 415842.0 1
49.800 49505.0 1
55.000 54455.5 1
56.000 1935645.5 6
60.300 19802.0 1
67.200 108911.0 1
67.900 4915846.5 16
69.300 232673.5 1
71.100 227723.0 1
73.200 94059.5 1
76.200 79208.0 1
78.100 19802.0 1
79.100 59406.0 1
80.100 34653.5 1
80.900 103960.5 1
81.900 297030.0 1
83.300 400990.5 1
84.900 351485.5 1
89.400 34653.5 1
91.000 313049818.0 999
93.100 29703.0 1
97.100 955446.5 3
98.100 103960.5 1
99.900 89109.0 1
101.300 24752.5 1
102.500 24752.5 1
103.300 69307.0 1
104.700 79208.0 1
105.300 148515.0 1
106.900 405941.0 1
114.000 34653.5 1
115.300 74257.5 1
117.100 361386.5 1
118.000 242574.5 1
119.000 54455.5 1
120.000 326733.0 1
124.000 49505.0 1
125.200 668317.5 2
127.100 183168.5 1
127.900 1084159.5 3
129.200 5960402.0 19
130.200 128713.0 1
131.000 1321783.5 4
131.800 133663.5 1
140.200 49505.0 1
142.000 123762.5 1
143.200 811882.0 3
144.100 321782.5 1
145.200 668317.5 2
157.800 74257.5 1
160.300 11945556.5 38
167.000 19802.0 1
//