MassBank Record: MSBNK-Keio_Univ-KO004075
ACCESSION: MSBNK-Keio_Univ-KO004075
RECORD_TITLE: L-Tryptophan; LC-ESI-QQ; MS2; CE:40 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 T003
CH$NAME: Trp
CH$NAME: Tryptophan
CH$NAME: L-Tryptophan
CH$NAME: (S)-alpha-Amino-beta-(3-indolyl)-propionic acid
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H12N2O2
CH$EXACT_MASS: 204.08988
CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N
CH$IUPAC: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
CH$LINK: CAS
73-22-3
CH$LINK: CHEBI
16828
CH$LINK: CHEMPDB TRP
CH$LINK: KEGG
C00078
CH$LINK: NIKKAJI
J9.181B
CH$LINK: PUBCHEM
CID:6305
CH$LINK: INCHIKEY
QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX
DTXSID5021419
AC$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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 205
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0900000000-4dd8bf52e2f41311bcac
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
40.700 9901.0 1
43.300 14851.5 1
53.100 39604.0 1
55.100 39604.0 1
55.800 19802.0 1
62.400 29703.0 1
66.000 49505.0 1
66.300 44554.5 1
69.300 14851.5 1
74.000 1099011.0 31
76.900 227723.0 6
78.800 39604.0 1
84.900 19802.0 1
88.900 44554.5 1
90.100 74257.5 2
91.100 6500006.5 182
93.000 69307.0 2
97.000 14851.5 1
102.800 376238.0 11
104.200 44554.5 1
104.900 361386.5 10
106.400 54455.5 2
115.100 6732680.0 188
116.200 1099011.0 31
117.100 8153473.5 228
118.100 35747560.5 999
120.800 14851.5 1
127.200 1123763.5 31
128.000 509901.5 14
128.500 84158.5 2
130.200 3618815.5 101
130.900 207921.0 6
131.900 3668320.5 103
140.400 168317.0 5
141.000 54455.5 2
142.000 3217825.0 90
143.200 7475255.0 209
144.200 2227725.0 62
146.000 4371291.5 122
158.100 163366.5 5
159.200 410891.5 11
160.300 59406.0 2
170.300 940595.0 26
//