MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011293
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011293
RECORD_TITLE: L-TRYPTOPHAN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: L-TRYPTOPHAN
CH$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: INCHIKEY
QIVBCDIJIAJPQS-VIFPVBQESA-N
CH$LINK: COMPTOX
DTXSID5021419
AC$INSTRUMENT: HITACHI M-2500
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-0900000000-d054a214c1717940989f
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
28 1.21 12
43 1.31 13
45 1.38 14
60 1.03 10
77 2.7 27
102 2.53 25
103 5.3 53
115 1.5 15
117 2.7 27
128 2.86 29
129 3.97 40
130 99.99 999
131 12.45 125
132 2.52 25
143 1.19 12
149 1 10
157 1.01 10
158 2.54 25
159 2.98 30
204 8.39 84
205 1.38 14
//