MassBank Record: JP000255



 N-ACETYL-ALANYL-VALYL-ALANINE METHYL ESTER; FD-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: JP000255
RECORD_TITLE: N-ACETYL-ALANYL-VALYL-ALANINE METHYL ESTER; FD-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$NAME: N-ACETYL-ALANYL-VALYL-ALANINE METHYL ESTER CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H25N3O5 CH$EXACT_MASS: 315.17942 CH$SMILES: COC(=O)C([H])(C)NC(=O)C([H])(C(C)C)NC(=O)C([H])(C)NC(C)=O CH$IUPAC: InChI=1S/C14H25N3O5/c1-7(2)11(13(20)16-9(4)14(21)22-6)17-12(19)8(3)15-10(5)18/h7-9,11H,1-6H3,(H,15,18)(H,16,20)(H,17,19)/t8-,9-,11+/m0/s1
AC$INSTRUMENT: Unknown AC$INSTRUMENT_TYPE: FD-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-2429001000-3cc4af640099e8fc9339 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 53 14.73 147 60 4.29 43 71 1.84 18 85 51.53 515 113 8.58 86 130 19.63 196 149 17.79 178 150 22.08 221 173 7.36 74 185 52.76 528 196 4.9 49 229 28.22 282 230 11.65 117 237 17.79 178 242 6.74 67 281 6.13 61 303 6.13 61 310 8.58 86 313 9.81 98 314 5.52 55 315 73.61 736 316 99.99 999 317 57.66 577 318 7.36 74 329 15.95 160 330 5.52 55 345 8.58 86 434 9.81 98 500 9.81 98 630 9.81 98 631 20.85 209 645 9.2 92 //